NP-MRD: Showing NP-Card for (1'r,2'r,10'r)-1',2',5'-trimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-10'-ol (NP0156201)

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Record Information

Version

2.0

Created at

2022-09-02 13:22:30 UTC

Updated at

2022-09-02 13:22:30 UTC

NP-MRD ID

NP0156201

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1'r,2'r,10'r)-1',2',5'-trimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-10'-ol

Description

Isotrichodermol belongs to the class of organic compounds known as trichothecenes. These are sesquiterpene mycotoxins structurally characterized by the presence of an epoxide ring and a benzopyran derivative with a variant number of hydroxyl, acetyl, or other substituents. The most important structural features causing the biological activities of trichothecenes are the 12,13-epoxy ring, the presence of hydroxyl or acetyl groups at appropriate positions on the trichothecene nucleus and the structure and position of the side-chain. (1'r,2'r,10'r)-1',2',5'-trimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-10'-ol is found in Fusarium culmorum and Fusarium sporotrichioides. (1'r,2'r,10'r)-1',2',5'-trimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-10'-ol was first documented in 2006 (PMID: 16917519). Based on a literature review a small amount of articles have been published on Isotrichodermol (PMID: 18776660) (PMID: 31717667) (PMID: 27715009).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 40 43  0  0  0  0  0  0  0  0999 V2000
    3.3990    2.2019   -0.3795 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5304    1.0589   -0.0692 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5040    1.1991    0.7539 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5879    0.1102    1.1168 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5605    0.6294    1.6251 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4394    1.1610    0.7048 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6812    0.2516    0.8246 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.0765    0.1952    2.1456 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0828   -1.0496    0.3295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9629   -0.6662   -0.6353 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1050   -1.3959   -1.9224 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3999   -0.9130    0.0313 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4456   -2.3308    0.5878 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4211   -0.8370   -1.0707 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7464   -0.2957   -0.6476 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0994    0.8068   -0.7131 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0059    1.4191   -1.7476 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6294    1.6209   -1.6392 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2690    2.5209   -1.4292 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1508    3.0623    0.2560 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4700    1.9523   -0.1589 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3431    2.1815    1.1782 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0893   -0.4463    1.9661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7015    2.2060    0.8675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4556    0.6445    0.1534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1521    1.1231    2.4895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8834   -1.6170   -0.1844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6596   -1.5657    1.1927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0737   -0.7798   -2.8197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0814   -1.9508   -1.9360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3289   -2.2047   -2.0484 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5137   -2.6809    0.4943 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1649   -2.3485    1.6613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1554   -3.0357   -0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0347   -0.2093   -1.9222 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6129   -1.8613   -1.5059 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1779   -0.9707    0.1091 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3795   -0.1825   -1.5251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4024    0.7696   -2.5524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7029    2.2270   -1.4660 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  6
 10 16  1  0
 16 17  1  0
 17 18  1  0
 10 12  1  0
 12 13  1  1
 12 14  1  0
 14 15  1  0
 15  2  1  0
 12  4  1  0
 16  6  1  0
 16 18  1  6
  1 19  1  0
  1 20  1  0
  1 21  1  0
  3 22  1  0
  4 23  1  1
  6 24  1  6
  7 25  1  6
  8 26  1  0
  9 27  1  0
  9 28  1  0
 11 29  1  0
 11 30  1  0
 11 31  1  0
 17 39  1  0
 17 40  1  0
 13 32  1  0
 13 33  1  0
 13 34  1  0
 14 35  1  0
 14 36  1  0
 15 37  1  0
 15 38  1  0
M  END


  Mrv1652309022215222D          

 18 21  0  0  1  0            999 V2000
    5.6625    1.3909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8900    1.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2529    1.6253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4805    1.3356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9286    1.9488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1050    1.8996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6300    1.2251    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8162    1.3604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8612    0.4332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6245    0.1202    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6736   -0.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1423    0.9450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5721    0.3488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3409    1.1407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3451    0.5218    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2710   -0.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9823   -0.0023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7547    0.2874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  1  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  6  0  0  0
 10 12  1  0  0  0  0
  6 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 12 14  1  0  0  0  0
 10 15  1  0  0  0  0
  4 15  1  0  0  0  0
 15 16  1  1  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
  2 18  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0156201

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1=CC2OC3[C@H](O)C[C@@](C)(C33CO3)[C@@]2(C)CC1

> <INCHI_IDENTIFIER>
InChI=1S/C15H22O3/c1-9-4-5-13(2)11(6-9)18-12-10(16)7-14(13,3)15(12)8-17-15/h6,10-12,16H,4-5,7-8H2,1-3H3/t10-,11?,12?,13+,14-,15?/m1/s1

> <INCHI_KEY>
ICJDGHMOMSQSLB-WATQRLBISA-N

> <FORMULA>
C15H22O3

> <MOLECULAR_WEIGHT>
250.338

> <EXACT_MASS>
250.156894568

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
40

> <JCHEM_AVERAGE_POLARIZABILITY>
27.290804277769325

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1'R,2'R,10'R)-1',2',5'-trimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0^{2,7}]dodecan]-5'-en-10'-ol

> <ALOGPS_LOGP>
1.60

> <JCHEM_LOGP>
1.6945160883333326

> <ALOGPS_LOGS>
-2.42

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.07711742105063

> <JCHEM_PKA_STRONGEST_BASIC>
-3.202468840032454

> <JCHEM_POLAR_SURFACE_AREA>
41.99

> <JCHEM_REFRACTIVITY>
67.8145

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
9.51e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1'R,2'R,10'R)-1',2',5'-trimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0^{2,7}]dodecan]-5'-en-10'-ol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 02-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   02-SEP-22         0                                  
HETATM    1  C   UNK     0      10.570   2.596   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       9.128   2.056   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       7.939   3.034   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       6.497   2.493   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       5.467   3.638   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       3.929   3.546   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       3.043   2.287   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       1.524   2.540   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       3.474   0.809   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.899   0.224   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       4.991  -1.313   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       3.999   1.764   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.935   0.651   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       2.503   2.129   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       6.244   0.974   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       6.106  -0.560   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       7.434  -0.004   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       8.875   0.536   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   18                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   15                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7   12                                                  
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10                                                       
CONECT   10    9   11   12   15                                             
CONECT   11   10                                                            
CONECT   12   10    6   13   14                                             
CONECT   13   12   14                                                       
CONECT   14   13   12                                                       
CONECT   15   10    4   16   17                                             
CONECT   16   15                                                            
CONECT   17   15   18                                                       
CONECT   18   17    2                                                       
MASTER        0    0    0    0    0    0    0    0   18    0   42    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₅H₂₂O₃

Average Mass

250.3380 Da

Monoisotopic Mass

250.15689 Da

IUPAC Name

(1'R,2'R,10'R)-1',2',5'-trimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0^{2,7}]dodecan]-5'-en-10'-ol

Traditional Name

(1'R,2'R,10'R)-1',2',5'-trimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0^{2,7}]dodecan]-5'-en-10'-ol

CAS Registry Number

Not Available

SMILES

CC1=CC2OC3[C@H](O)C[C@@](C)(C33CO3)[C@@]2(C)CC1

InChI Identifier

InChI=1S/C15H22O3/c1-9-4-5-13(2)11(6-9)18-12-10(16)7-14(13,3)15(12)8-17-15/h6,10-12,16H,4-5,7-8H2,1-3H3/t10-,11?,12?,13+,14-,15?/m1/s1

InChI Key

ICJDGHMOMSQSLB-WATQRLBISA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Fusarium culmorum	LOTUS Database	35616633
Fusarium sporotrichioides	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as trichothecenes. These are sesquiterpene mycotoxins structurally characterized by the presence of an epoxide ring and a benzopyran derivative with a variant number of hydroxyl, acetyl, or other substituents. The most important structural features causing the biological activities of trichothecenes are the 12,13-epoxy ring, the presence of hydroxyl or acetyl groups at appropriate positions on the trichothecene nucleus and the structure and position of the side-chain.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Sesquiterpenoids

Direct Parent

Trichothecenes

Alternative Parents

Substituents

Trichothecene skeleton
Oxepane
Oxane
Cyclic alcohol
Secondary alcohol
Oxacycle
Organoheterocyclic compound
Ether
Oxirane
Dialkyl ether
Organic oxygen compound
Hydrocarbon derivative
Organooxygen compound
Alcohol
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic heteropolycyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	1.6	ALOGPS
logP	1.69	ChemAxon
logS	-2.4	ALOGPS
pKa (Strongest Acidic)	14.08	ChemAxon
pKa (Strongest Basic)	-3.2	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	41.99 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	67.81 m³·mol⁻¹	ChemAxon
Polarizability	27.29 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00012644

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

102515387

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Tokai T, Takahashi-Ando N, Izawa M, Kamakura T, Yoshida M, Fujimura M, Kimura M: 4-O-acetylation and 3-O-acetylation of trichothecenes by trichothecene 15-O-acetyltransferase encoded by Fusarium Tri3. Biosci Biotechnol Biochem. 2008 Sep;72(9):2485-9. doi: 10.1271/bbb.80501. Epub 2008 Sep 7. [PubMed:18776660 ]
Tanaka N, Takushima R, Tanaka A, Okada A, Matsui K, Maeda K, Aikawa S, Kimura M, Takahashi-Ando N: Reduced Toxicity of Trichothecenes, Isotrichodermol, and Deoxynivalenol, by Transgenic Expression of the Tri101 3-O-Acetyltransferase Gene in Cultured Mammalian FM3A Cells. Toxins (Basel). 2019 Nov 10;11(11):654. doi: 10.3390/toxins11110654. [PubMed:31717667 ]
Wetterhorn KM, Newmister SA, Caniza RK, Busman M, McCormick SP, Berthiller F, Adam G, Rayment I: Crystal Structure of Os79 (Os04g0206600) from Oryza sativa: A UDP-glucosyltransferase Involved in the Detoxification of Deoxynivalenol. Biochemistry. 2016 Nov 8;55(44):6175-6186. doi: 10.1021/acs.biochem.6b00709. Epub 2016 Oct 26. [PubMed:27715009 ]
McCormick SP, Alexander NJ, Proctor RH: Fusarium Tri4 encodes a multifunctional oxygenase required for trichothecene biosynthesis. Can J Microbiol. 2006 Jul;52(7):636-42. doi: 10.1139/w06-011. [PubMed:16917519 ]
LOTUS database [Link]

Showing NP-Card for (1'r,2'r,10'r)-1',2',5'-trimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-10'-ol (NP0156201)

MOL for NP0156201 ((1'r,2'r,10'r)-1',2',5'-trimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-10'-ol)

3D MOL for NP0156201 ((1'r,2'r,10'r)-1',2',5'-trimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-10'-ol)

3D SDF for NP0156201 ((1'r,2'r,10'r)-1',2',5'-trimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-10'-ol)

3D-SDF for NP0156201 ((1'r,2'r,10'r)-1',2',5'-trimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-10'-ol)

PDB for NP0156201 ((1'r,2'r,10'r)-1',2',5'-trimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-10'-ol)

3D PDB for NP0156201 ((1'r,2'r,10'r)-1',2',5'-trimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-10'-ol)

SMILES for NP0156201 ((1'r,2'r,10'r)-1',2',5'-trimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-10'-ol)

INCHI for NP0156201 ((1'r,2'r,10'r)-1',2',5'-trimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-10'-ol)

Structure for NP0156201 ((1'r,2'r,10'r)-1',2',5'-trimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-10'-ol)

3D Structure for NP0156201 ((1'r,2'r,10'r)-1',2',5'-trimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-10'-ol)