(Q105278005)

English

(3S,4aS,6aS,6bR,8aR,9S,10S,12aR,12bR,14bR)-9-(hydroxymethyl)-2,2,4a,6a,6b,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-3,10-diol

chemical compound

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instance of

type of chemical entity

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subclass of

oleanane triterpenoid

1 reference

based on heuristic

inferred from SMILES

mass

458.37599545999996 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

stereoisomer of

(3S,4S,4aR,6aR,6bS,8aS,10R,12aR,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,10-diol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(3R,4S,4aR,6aR,6bS,8aS,10R,12aR,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,10-diol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₅₀O₃

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canonical SMILES

OCC1(C)C(O)CCC2(C)C3CC=C4C5CC(C)(C)C(O)CC5(C)CCC4(C)C3(C)CCC12

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isomeric SMILES

CC1(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)C[C@@H]1O

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Identifiers

InChI

InChI=1S/C30H50O3/c1-25(2)16-20-19-8-9-22-27(4)12-11-23(32)28(5,18-31)21(27)10-13-30(22,7)29(19,6)15-14-26(20,3)17-24(25)33/h8,20-24,31-33H,9-18H2,1-7H3/t20-,21+,22+,23-,24-,26-,27-,28+,29+,30+/m0/s1

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InChIKey

URRZRRQMNMZIAP-FMGQVEPTSA-N

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PubChem CID

12442850

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

URRZRRQMNMZIAP-FMGQVEPTSA-N

1 reference

(Q105278005)

(3S,4aS,6aS,6bR,8aR,9S,10S,12aR,12bR,14bR)-9-(hydroxymethyl)-2,2,4a,6a,6b,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-3,10-diol

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