(Q105005888)

English

(9S,10S,14R)-17-[4-(3,3-dimethyloxiran-2-yl)-4-hydroxybutan-2-yl]-11-hydroxy-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-one

group of stereoisomers with the chemical formula C₃₀H₄₈O₄

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Statements

instance of

group of stereoisomers

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subclass of

protostane/dammarane triterpenoid

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inferred from

protostane/dammarane triterpenoid

mass

472.35526001599993 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₀H₄₈O₄

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canonical SMILES

O=C1CCC2(C)C(CCC3(C)C2C(O)CC4=C(CCC43C)C(C)CC(O)C5OC5(C)C)C1(C)C

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isomeric SMILES

CC(CC(O)C1OC1(C)C)C1=C2CC(O)[C@@H]3C(C)(CCC4C(C)(C)C(=O)CC[C@@]43C)[C@@]2(C)CC1

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found in taxon

Alisma

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stated in

Cytotoxic triterpenoides from Alismatis Rhizoma.

Identifiers

InChI

InChI=1S/C30H48O4/c1-17(15-21(32)25-27(4,5)34-25)18-9-13-29(7)19(18)16-20(31)24-28(6)12-11-23(33)26(2,3)22(28)10-14-30(24,29)8/h17,20-22,24-25,31-32H,9-16H2,1-8H3/t17?,20?,21?,22?,24-,25?,28-,29-,30?/m0/s1

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InChIKey

GBJKHDVRXAVITG-YNXITYSZSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

GBJKHDVRXAVITG-YNXITYSZSA-N

1 reference

(Q105005888)

(9S,10S,14R)-17-[4-(3,3-dimethyloxiran-2-yl)-4-hydroxybutan-2-yl]-11-hydroxy-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-one

Statements

Identifiers

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