(Q104976159)

English

(4R,4aS,6aS,6aR,6bR,8aR,12aR,14aS,14bS)-4,4a,6b,8a,11,11,14a-heptamethyl-3-oxo-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picene-6a-carboxylic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

4,4a,6b,8a,11,11,14a-heptamethyl-3-oxo-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picene-6a-carboxylic acid

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=C(O)C12CCC3(C)C4CCC(=O)C(C)C4(C)CCC3C2(C)CCC5(C)CCC(C)(C)CC51

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isomeric SMILES

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

Caloncoba glauca

1 reference

stated in

30-Norfriedelane triterpenes from the stem bark ofCaloncoba glauca

Oncoba glauca

1 reference

stated in

30-Norfriedelane triterpenes from the stem bark ofCaloncoba glauca

Identifiers

InChI

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

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InChIKey

DCZGJIUDCAUZMF-ZAYGEOOPSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DCZGJIUDCAUZMF-ZAYGEOOPSA-N

1 reference

(Q104976159)

(4R,4aS,6aS,6aR,6bR,8aR,12aR,14aS,14bS)-4,4a,6b,8a,11,11,14a-heptamethyl-3-oxo-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picene-6a-carboxylic acid

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Identifiers

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