NP-MRD: Showing NP-Card for (3s,5as,6s,7r,9as)-6-{2-[(1s,3as,5r,8as)-1-hydroxy-1,4,4,6-tetramethyl-2,3,3a,5,8,8a-hexahydroazulen-5-yl]ethyl}-2,2,5a,7-tetramethyl-hexahydro-3h-1-benzoxepine-3,7-diol (NP0206675)

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Record Information

Version

2.0

Created at

2022-09-05 03:00:31 UTC

Updated at

2022-09-05 03:00:31 UTC

NP-MRD ID

NP0206675

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(3s,5as,6s,7r,9as)-6-{2-[(1s,3as,5r,8as)-1-hydroxy-1,4,4,6-tetramethyl-2,3,3a,5,8,8a-hexahydroazulen-5-yl]ethyl}-2,2,5a,7-tetramethyl-hexahydro-3h-1-benzoxepine-3,7-diol

Description

Sipholenol A belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. (3s,5as,6s,7r,9as)-6-{2-[(1s,3as,5r,8as)-1-hydroxy-1,4,4,6-tetramethyl-2,3,3a,5,8,8a-hexahydroazulen-5-yl]ethyl}-2,2,5a,7-tetramethyl-hexahydro-3h-1-benzoxepine-3,7-diol is found in Callyspongia siphonella and Ovabunda biseriata. (3s,5as,6s,7r,9as)-6-{2-[(1s,3as,5r,8as)-1-hydroxy-1,4,4,6-tetramethyl-2,3,3a,5,8,8a-hexahydroazulen-5-yl]ethyl}-2,2,5a,7-tetramethyl-hexahydro-3h-1-benzoxepine-3,7-diol was first documented in 2015 (PMID: 25874923). Based on a literature review a small amount of articles have been published on Sipholenol A (PMID: 28479724) (PMID: 26845717) (PMID: 29729401).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309052205002D          

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M  END

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M  END


  Mrv1652309052205002D          

 34 37  0  0  1  0            999 V2000
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    2.5656   -0.1923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3700   -0.3758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7279   -1.1191    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5529   -1.1191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3700   -1.8624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1743   -2.0460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3700   -2.6874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5656   -2.0460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9206   -1.5316    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2062   -1.9441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917   -1.5316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917   -0.7066    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3328   -0.6779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0545   -0.0070    0.0000 O   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
  5  4  1  6  0  0  0
  5  6  1  0  0  0  0
  6  7  1  6  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  6  0  0  0
  9 11  1  1  0  0  0
  6 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
  2 15  1  0  0  0  0
 15 16  1  6  0  0  0
 16 17  1  0  0  0  0
 18 17  1  1  0  0  0
 18 19  1  0  0  0  0
 19 20  1  1  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  6  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 28 29  1  0  0  0  0
 19 29  1  0  0  0  0
 29 30  1  1  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 18 32  1  0  0  0  0
 32 33  1  6  0  0  0
 32 34  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0206675

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1=CC[C@H]2[C@H](CC[C@]2(C)O)C(C)(C)[C@@H]1CC[C@@H]1[C@](C)(O)CC[C@@H]2OC(C)(C)[C@@H](O)CC[C@@]12C

> <INCHI_IDENTIFIER>
InChI=1S/C30H52O4/c1-19-9-10-22-21(13-17-29(22,7)32)26(2,3)20(19)11-12-23-28(6)16-14-24(31)27(4,5)34-25(28)15-18-30(23,8)33/h9,20-25,31-33H,10-18H2,1-8H3/t20-,21+,22+,23+,24+,25+,28+,29+,30-/m1/s1

> <INCHI_KEY>
LVWWPNAIMBYRKG-RSNOKGJTSA-N

> <FORMULA>
C30H52O4

> <MOLECULAR_WEIGHT>
476.742

> <EXACT_MASS>
476.386560154

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
86

> <JCHEM_AVERAGE_POLARIZABILITY>
57.17368299476614

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(3S,5aS,6S,7R,9aS)-6-{2-[(1S,3aS,5R,8aS)-1-hydroxy-1,4,4,6-tetramethyl-1,2,3,3a,4,5,8,8a-octahydroazulen-5-yl]ethyl}-2,2,5a,7-tetramethyl-decahydro-1-benzoxepine-3,7-diol

> <JCHEM_LOGP>
4.8939496500000015

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.834976385082907

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.939860759413946

> <JCHEM_PKA_STRONGEST_BASIC>
-0.7363478758190064

> <JCHEM_POLAR_SURFACE_AREA>
69.92

> <JCHEM_REFRACTIVITY>
139.067

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(3S,5aS,6S,7R,9aS)-6-{2-[(1S,3aS,5R,8aS)-1-hydroxy-1,4,4,6-tetramethyl-2,3,3a,5,8,8a-hexahydroazulen-5-yl]ethyl}-2,2,5a,7-tetramethyl-hexahydro-3H-1-benzoxepine-3,7-diol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 05-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   05-SEP-22         0                                  
HETATM    1  C   UNK     0      -1.674   3.009   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -0.470   3.969   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -0.812   5.470   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.148   6.675   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.688   6.675   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.648   5.470   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       4.090   6.012   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.021   7.550   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.536   7.960   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.773   9.482   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       1.357   8.950   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       2.305   3.969   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       3.845   3.969   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.648   2.468   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       0.918   3.301   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       0.918   1.761   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.251   0.991   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       2.251  -0.549   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       3.585  -1.319   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       3.470   0.217   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       4.789  -0.359   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       6.291  -0.702   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       6.959  -2.089   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       8.499  -2.089   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       6.291  -3.477   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       7.792  -3.819   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       6.291  -5.017   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       4.789  -3.819   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       3.585  -2.859   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       2.251  -3.629   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       0.918  -2.859   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       0.918  -1.319   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -0.621  -1.265   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0       0.102  -0.013   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   15                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6    9                                                  
CONECT    6    5    7   12                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8    5   10   11                                             
CONECT   10    9                                                            
CONECT   11    9                                                            
CONECT   12    6   13   14   15                                             
CONECT   13   12                                                            
CONECT   14   12                                                            
CONECT   15   12    2   16                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19   32                                                  
CONECT   19   18   20   21   29                                             
CONECT   20   19                                                            
CONECT   21   19   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   26   27   28                                             
CONECT   26   25                                                            
CONECT   27   25                                                            
CONECT   28   25   29                                                       
CONECT   29   28   19   30                                                  
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   18   33   34                                             
CONECT   33   32                                                            
CONECT   34   32                                                            
MASTER        0    0    0    0    0    0    0    0   34    0   74    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₀H₅₂O₄

Average Mass

476.7420 Da

Monoisotopic Mass

476.38656 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CC1=CC[C@H]2[C@H](CC[C@]2(C)O)C(C)(C)[C@@H]1CC[C@@H]1[C@](C)(O)CC[C@@H]2OC(C)(C)[C@@H](O)CC[C@@]12C

InChI Identifier

InChI=1S/C30H52O4/c1-19-9-10-22-21(13-17-29(22,7)32)26(2,3)20(19)11-12-23-28(6)16-14-24(31)27(4,5)34-25(28)15-18-30(23,8)33/h9,20-25,31-33H,10-18H2,1-8H3/t20-,21+,22+,23+,24+,25+,28+,29+,30-/m1/s1

InChI Key

LVWWPNAIMBYRKG-RSNOKGJTSA-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
Callyspongia siphonella	LOTUS Database	35616633
Ovabunda biseriata	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Triterpenoids

Direct Parent

Triterpenoids

Alternative Parents

Substituents

Triterpenoid
Oxepane
Tertiary alcohol
Cyclic alcohol
Secondary alcohol
Oxacycle
Organoheterocyclic compound
Ether
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

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

10474728

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

23428145

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Sobahi TRA, Ayyad SN, Abdel-Lateff A, Algandaby MM, Alorfi HS, Abdel-Naim AB: Cytotoxic Metabolites from Callyspongia siphonella Display Antiproliferative Activity by Inducing Apoptosis in HCT-116 Cells. Pharmacogn Mag. 2017 Jan;13(Suppl 1):S37-S40. doi: 10.4103/0973-1296.203970. Epub 2017 Apr 7. [PubMed:28479724 ]
Abdel-Lateff A, Al-Abd AM, Alahdal AM, Alarif WM, Ayyad SE, Al-Lihaibi SS, Hegazy ME, Al Mohammadi A, Abdelghany TM, Abdel-Naim AB, Moustafa MA, Banjer ZM, Azhar AS: Antiproliferative effects of triterpenoidal derivatives, obtained from the marine sponge Siphonochalina sp., on human hepatic and colorectal cancer cells. Z Naturforsch C J Biosci. 2016;71(1-2):29-35. doi: 10.1515/znc-2015-0160. [PubMed:26845717 ]
Zhang Y, Zhang YK, Wang YJ, Vispute SG, Jain S, Chen Y, Li J, Youssef DT, El Sayed KA, Chen ZS: Esters of the marine-derived triterpene sipholenol A reverse P-GP-mediated drug resistance. Mar Drugs. 2015 Apr 14;13(4):2267-86. doi: 10.3390/md13042267. [PubMed:25874923 ]
El-Beih AA, El-Desoky AH, Al-Hammady MA, Elshamy AI, Hegazy MF, Kato H, Tsukamoto S: New inhibitors of RANKL-induced Osteoclastogenesis from the marine sponge Siphonochalina siphonella. Fitoterapia. 2018 Jul;128:43-49. doi: 10.1016/j.fitote.2018.05.001. Epub 2018 May 3. [PubMed:29729401 ]
LOTUS database [Link]

Showing NP-Card for (3s,5as,6s,7r,9as)-6-{2-[(1s,3as,5r,8as)-1-hydroxy-1,4,4,6-tetramethyl-2,3,3a,5,8,8a-hexahydroazulen-5-yl]ethyl}-2,2,5a,7-tetramethyl-hexahydro-3h-1-benzoxepine-3,7-diol (NP0206675)

MOL for NP0206675 ((3s,5as,6s,7r,9as)-6-{2-[(1s,3as,5r,8as)-1-hydroxy-1,4,4,6-tetramethyl-2,3,3a,5,8,8a-hexahydroazulen-5-yl]ethyl}-2,2,5a,7-tetramethyl-hexahydro-3h-1-benzoxepine-3,7-diol)

3D MOL for NP0206675 ((3s,5as,6s,7r,9as)-6-{2-[(1s,3as,5r,8as)-1-hydroxy-1,4,4,6-tetramethyl-2,3,3a,5,8,8a-hexahydroazulen-5-yl]ethyl}-2,2,5a,7-tetramethyl-hexahydro-3h-1-benzoxepine-3,7-diol)

3D SDF for NP0206675 ((3s,5as,6s,7r,9as)-6-{2-[(1s,3as,5r,8as)-1-hydroxy-1,4,4,6-tetramethyl-2,3,3a,5,8,8a-hexahydroazulen-5-yl]ethyl}-2,2,5a,7-tetramethyl-hexahydro-3h-1-benzoxepine-3,7-diol)

3D-SDF for NP0206675 ((3s,5as,6s,7r,9as)-6-{2-[(1s,3as,5r,8as)-1-hydroxy-1,4,4,6-tetramethyl-2,3,3a,5,8,8a-hexahydroazulen-5-yl]ethyl}-2,2,5a,7-tetramethyl-hexahydro-3h-1-benzoxepine-3,7-diol)

PDB for NP0206675 ((3s,5as,6s,7r,9as)-6-{2-[(1s,3as,5r,8as)-1-hydroxy-1,4,4,6-tetramethyl-2,3,3a,5,8,8a-hexahydroazulen-5-yl]ethyl}-2,2,5a,7-tetramethyl-hexahydro-3h-1-benzoxepine-3,7-diol)

3D PDB for NP0206675 ((3s,5as,6s,7r,9as)-6-{2-[(1s,3as,5r,8as)-1-hydroxy-1,4,4,6-tetramethyl-2,3,3a,5,8,8a-hexahydroazulen-5-yl]ethyl}-2,2,5a,7-tetramethyl-hexahydro-3h-1-benzoxepine-3,7-diol)

SMILES for NP0206675 ((3s,5as,6s,7r,9as)-6-{2-[(1s,3as,5r,8as)-1-hydroxy-1,4,4,6-tetramethyl-2,3,3a,5,8,8a-hexahydroazulen-5-yl]ethyl}-2,2,5a,7-tetramethyl-hexahydro-3h-1-benzoxepine-3,7-diol)

INCHI for NP0206675 ((3s,5as,6s,7r,9as)-6-{2-[(1s,3as,5r,8as)-1-hydroxy-1,4,4,6-tetramethyl-2,3,3a,5,8,8a-hexahydroazulen-5-yl]ethyl}-2,2,5a,7-tetramethyl-hexahydro-3h-1-benzoxepine-3,7-diol)

Structure for NP0206675 ((3s,5as,6s,7r,9as)-6-{2-[(1s,3as,5r,8as)-1-hydroxy-1,4,4,6-tetramethyl-2,3,3a,5,8,8a-hexahydroazulen-5-yl]ethyl}-2,2,5a,7-tetramethyl-hexahydro-3h-1-benzoxepine-3,7-diol)

3D Structure for NP0206675 ((3s,5as,6s,7r,9as)-6-{2-[(1s,3as,5r,8as)-1-hydroxy-1,4,4,6-tetramethyl-2,3,3a,5,8,8a-hexahydroazulen-5-yl]ethyl}-2,2,5a,7-tetramethyl-hexahydro-3h-1-benzoxepine-3,7-diol)