(Q105149748)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

472.355260016 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₈O₄

0 references

canonical SMILES

O=C(O)C12CCC(C)(C)CC1C3(C)CCC4(C)C(CCC5(C)C(C(=O)C(O)CC54)C)C3(C)CC2

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isomeric SMILES

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

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found in taxon

Euonymus revolutus

2 references

stated in

Triterpenes from Euonymus revolutus

stated in

New D:A-friedooleananes from Euonymus revolutus(celastraceae)

Identifiers

InChI

InChI=1S/C30H48O4/c1-18-23(32)19(31)16-21-26(18,4)9-8-20-27(21,5)11-12-29(7)22-17-25(2,3)10-14-30(22,24(33)34)15-13-28(20,29)6/h18-22,31H,8-17H2,1-7H3,(H,33,34)/t18-,19+,20-,21+,22-,26+,27+,28+,29-,30-/m0/s1

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InChIKey

LCBMALNDBNCPPY-GXHHTLALSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105149748)

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

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Identifiers

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