(Q105030988)

English

(3aR,3bS,9aS,10S)-10-hydroxy-3a,3b,6,6,9a-pentamethyl-1-[(2R,4S,5R)-4,5,6-trihydroxy-6-methylheptan-2-yl]-2H,3H,4H,5H,5aH,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-7-one

group of stereoisomers with the chemical formula C₃₀H₅₀O₅

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instance of

group of stereoisomers

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subclass of

protostane/dammarane triterpenoid

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inferred from

protostane/dammarane triterpenoid

mass

490.36582469999996 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₀H₅₀O₅

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canonical SMILES

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

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isomeric SMILES

C[C@H](C[C@H](O)[C@@H](O)C(C)(C)O)C1=C2C[C@H](O)C3[C@@]4(C)CCC(=O)C(C)(C)C4CC[C@]3(C)[C@@]2(C)CC1

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Identifiers

InChI

InChI=1S/C30H50O5/c1-17(15-21(32)25(34)27(4,5)35)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/h17,20-22,24-25,31-32,34-35H,9-16H2,1-8H3/t17-,20+,21+,22?,24?,25-,28+,29+,30+/m1/s1

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InChIKey

HNOSJVWYGXOFRP-VAIYFDFZSA-N

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PubChem CID

10480744

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

HNOSJVWYGXOFRP-VAIYFDFZSA-N

1 reference

(Q105030988)

(3aR,3bS,9aS,10S)-10-hydroxy-3a,3b,6,6,9a-pentamethyl-1-[(2R,4S,5R)-4,5,6-trihydroxy-6-methylheptan-2-yl]-2H,3H,4H,5H,5aH,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-7-one

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