(Q104976588)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

12b-(hydroxymethyl)-4,4a,6b,8a,11,11,14a-heptamethyl-tetradecahydropicene-3,13-dione

1 reference

based on heuristic

inferred from SMILES

mass

456.360345396 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₈O₃

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canonical SMILES

O=C1CCC2C3(C)CC(=O)C4(CO)C5CC(C)(C)CCC5(C)CCC4(C)C3CCC2(C)C1C

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isomeric SMILES

C[C@H]1C(=O)CC[C@H]2[C@]3(C)CC(=O)[C@@]4(CO)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@@]21C

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found in taxon

Arnicratea grahamii

1 reference

stated in

A triterpenoid from Pristimera grahamii

Reissantia grahamii

1 reference

stated in

A triterpenoid from Pristimera grahamii

Identifiers

InChI

InChI=1S/C30H48O3/c1-19-20(32)8-9-21-27(19,5)11-10-22-28(21,6)17-24(33)30(18-31)23-16-25(2,3)12-13-26(23,4)14-15-29(22,30)7/h19,21-23,31H,8-18H2,1-7H3/t19-,21+,22-,23+,26+,27+,28-,29+,30+/m0/s1

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InChIKey

DDNIUMXDORXCSF-FZBZDSEXSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

DDNIUMXDORXCSF-FZBZDSEXSA-N

1 reference

(Q104976588)

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

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