(Q105185328)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

11-hydroxy-4,4a,6a,6b,8a,11,14a-heptamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one

1 reference

based on heuristic

inferred from SMILES

mass

428.365430776 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₄₈O₂

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canonical SMILES

O=C1CCC2C(C)(CCC3C2(C)CCC4(C)C5CC(O)(C)CCC5(C)CCC34C)C1C

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isomeric SMILES

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

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found in taxon

Euonymus revolutus

1 reference

stated in

Triterpenes from Euonymus revolutus

Identifiers

InChI

InChI=1S/C29H48O2/c1-19-20(30)8-9-21-26(19,4)11-10-22-27(21,5)15-17-29(7)23-18-25(3,31)14-12-24(23,2)13-16-28(22,29)6/h19,21-23,31H,8-18H2,1-7H3/t19-,21+,22-,23+,24+,25+,26+,27-,28+,29-/m0/s1

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InChIKey

NSZYLJDFTNURIA-JIMOECDOSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105185328)

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

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