(Q105023056)

English

(4R,4aS,6aS,6aS,6bR,8aR,11R,12aS,14aS,14bS)-11-hydroxy-8a-(hydroxymethyl)-4,4a,6a,6b,11,14a-hexamethyl-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-8a-(hydroxymethyl)-4,4a,6a,6b,11,14a-hexamethyl-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

444.360345396 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₄₈O₃

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canonical SMILES

O=C1CCC2C(C)(CCC3C2(C)CCC4(C)C5CC(O)(C)CCC5(CO)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(CO)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/C29H48O3/c1-19-20(31)7-8-21-25(19,3)10-9-22-26(21,4)12-13-28(6)23-17-24(2,32)11-15-29(23,18-30)16-14-27(22,28)5/h19,21-23,30,32H,7-18H2,1-6H3/t19-,21+,22-,23-,24+,25+,26-,27+,28-,29+/m0/s1

0 references

InChIKey

GXGBLBFUBDIUOT-KZDFMVMNSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105023056)

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

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Identifiers

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