(Q105213768)

English

5,10-Diacetyloxy-9-(acetyloxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

group of stereoisomers with the chemical formula C₃₆H₅₄O₈

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Statements

instance of

group of stereoisomers

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subclass of

oleanane triterpenoid

1 reference

inferred from

oleanane triterpenoid

mass

614.381868688 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₆H₅₄O₈

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canonical SMILES

O=C(OCC1(C)C(OC(=O)C)CCC2(C)C1CCC3(C)C2CC=C4C5CC(C)(C)CCC5(C(=O)O)C(OC(=O)C)CC43C)C

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Identifiers

InChI

InChI=1S/C36H54O8/c1-21(37)42-20-33(7)26-12-15-34(8)27(32(26,6)14-13-28(33)43-22(2)38)11-10-24-25-18-31(4,5)16-17-36(25,30(40)41)29(44-23(3)39)19-35(24,34)9/h10,25-29H,11-20H2,1-9H3,(H,40,41)

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InChIKey

PRKFEXJCCYJSHL-UHFFFAOYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PRKFEXJCCYJSHL-UHFFFAOYSA-N

(Q105213768)

5,10-Diacetyloxy-9-(acetyloxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

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Identifiers

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