Np mrd loader

Record Information
Version1.0
Created at2023-06-08 16:11:10 UTC
Updated at2024-05-13 01:10:30 UTC
NP-MRD IDNP0331677
Secondary Accession NumbersNone
Natural Product Identification
Common Name3,6-dihydroxyolean-12-en-27-oic acid
Description It was first documented in 2023 (PMID: 37288650). Based on a literature review a significant number of articles have been published on (4aR,6aR,6bR,8R,10S,12aR)-8,10-dihydroxy-2,2,4a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-6a-carboxylic acid (PMID: 37288649) (PMID: 37288648) (PMID: 37288647) (PMID: 37288646).
Structure
Thumb
Synonyms
ValueSource
(4AR,6ar,6BR,8R,10S,12ar)-8,10-dihydroxy-2,2,4a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-6a-carboxylateGenerator
Chemical FormulaC30H48O4
Average Mass472.7100 Da
Monoisotopic Mass472.35526 Da
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILES
CC1(C)CC[C@]2(C)CC[C@]3(C(O)=O)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5[C@H](O)C[C@@]34C)C2C1
InChI Identifier
InChI=1S/C30H48O4/c1-25(2)12-13-27(5)14-15-30(24(33)34)18(19(27)16-25)8-9-21-28(6)11-10-22(32)26(3,4)23(28)20(31)17-29(21,30)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19?,20-,21?,22+,23?,27-,28-,29-,30-/m1/s1
InChI KeyLUJTWDWEYNWTBP-PMASCOICSA-N
Experimental Spectra
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
1D NMR1H NMR Spectrum (1D, 400 MHz, C2D6OS, experimental)zxliao@seu.edu.cnNot AvailableNot Available2024-05-11View Spectrum
1D NMR13C NMR Spectrum (1D, 101 MHz, C2D6OS, experimental)zxliao@seu.edu.cnNot AvailableNot Available2024-05-11View Spectrum
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
grandis
      Not Available
Chemical Taxonomy
ClassificationNot classified
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
HMDB IDNot Available
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID8180614
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound10005034
PDB IDNot Available
ChEBI IDNot Available
Good Scents IDNot Available
References
General References
  1. Song G, Trujillo S, Fu Y, Shibi F, Chen J, Fass R: Transcutaneous electrical stimulation for gastrointestinal motility disorders. Neurogastroenterol Motil. 2023 Jun 8:e14618. doi: 10.1111/nmo.14618. [PubMed:37288650 ]
  2. Perry WB: Dining amidst the decibels is not an issue when you have company: anthropogenic noise and the topmouth Gudgeon. J Fish Biol. 2023 Jun;102(6):1271. doi: 10.1111/jfb.15459. [PubMed:37288649 ]
  3. Pansomsuay R, Duangupama T, Pittayakhajonwut P, Intaraudom C, Suriyachadkun C, He YW, Tanasupawat S, Thawai C: Streptomyces zingiberis sp. nov., an endophytic actinobacterium isolated from the root tissue of Zingiber montanum. Int J Syst Evol Microbiol. 2023 Jun;73(6). doi: 10.1099/ijsem.0.005765. [PubMed:37288648 ]
  4. Meng W, Qiao K, Liu F, Gao X, Hu X, Liu J, Gao Y, Zhu J: Construction and application of a new CRISPR/Cas12a system in Stenotrophomonas AGS-1 from aerobic granular sludge. Biotechnol J. 2023 Jun 8:e2200596. doi: 10.1002/biot.202200596. [PubMed:37288647 ]
  5. Rodgers EM, Gomez Isaza DF: The mechanistic basis and adaptive significance of cross-tolerance: a 'pre-adaptation' to a changing world? J Exp Biol. 2023 Jun 1;226(11):jeb245644. doi: 10.1242/jeb.245644. Epub 2023 Jun 8. [PubMed:37288646 ]
  1. Shao Y, Li Q, Wang M, Wang C, Zhang Y, Xu C, Liao Z, Han H: Triterpenoid acids characterized by the oxidation of the C-27-methy from the roots of Astilbe grandis Stapf ex Wils. Fitoterapia. 2023 Jul;168:105556. doi: 10.1016/j.fitote.2023.105556. Epub 2023 May 30. [PubMed:37263444 ]