input word = C00062462

Metabolite InformationStructural formula
Name (2R,4R,4aS,4bS,5R,6S,7S,8aS,10R,10aR)-7-(Acetyloxy)-4,5-bis(benzoyloxy)-2-ethenyldodecahydro-6,10,10a-trihydroxy-2,4b,8,8-tetramethyl-1(2H)-phenanthrenone
Formula C36H42O10
Mw 634.27779756
CAS RN 619297-95-9
C_ID C00062462
InChIKey AMSVBLSIYZDNCJ-KXWDHPLKSA-N
InChICode InChI=1S/C36H42O10/c1-7-34(5)19-23(45-30(40)21-14-10-8-11-15-21)27-35(6)24(18-25(38)36(27,43)32(34)42)33(3,4)28(44-20(2)37)26(39)29(35)46-31(41)22-16-12-9-13-17-22/h7-17,23-29,38-39,43H,1,18-19H2,2-6H3/t23-,24+,25-,26+,27-,28-,29+,34+,35+,36+/m1/s1
SMILES C=CC1(C)CC(OC(=O)c2ccccc2)C2C(O)(C1=O)C(O)CC1C(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