input word = C00062463

Metabolite InformationStructural formula
Name (2R,4R,4aS,4bS,5R,6S,7S,8aS,9S,10R,10aR)-7,10-Bis(acetyloxy)-4,5-bis(benzoyloxy)-2-ethenyldodecahydro-6,9,10a-trihydroxy-2,4b,8,8-tetramethyl-1(2H)-phenanthrenone
Formula C38H44O12
Mw 692.28327687
CAS RN 619297-96-0
C_ID C00062463
InChIKey CYRMZKDAMYRFBO-UAQNBVKUSA-N
InChICode InChI=1S/C38H44O12/c1-8-36(6)19-24(49-32(43)22-15-11-9-12-16-22)27-37(7)28(25(41)31(48-21(3)40)38(27,46)34(36)45)35(4,5)29(47-20(2)39)26(42)30(37)50-33(44)23-17-13-10-14-18-23/h8-18,24-31,41-42,46H,1,19H2,2-7H3/t24-,25+,26+,27-,28+,29-,30+,31-,36+,37-,38-/m1/s1
SMILES C=CC1(C)CC(OC(=O)c2ccccc2)C2C(O)(C1=O)C(OC(C)=O)C(O)C1C(C)(C)C(OC(C)=O)C(O)C(OC(=O)c3ccccc3)C12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeOrthosiphon stamineus Ref.
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OrganismOrthosiphon stamineus
Referencehttps://doi.org/10.1248/cpb.51.268