(Q105339647)

English

Methyl 9-acetyloxy-5a-(hydroxymethyl)-5b,8,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate

group of stereoisomers with the chemical formula C₃₃H₅₂O₅

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Statements

instance of

group of stereoisomers

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1 reference

528.381474764 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₃H₅₂O₅

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canonical SMILES

O=C(OC1CCC2(C)C(CCC3(C)C2CCC4C5C(C(=C)C)CCC5(C(=O)OC)CCC43CO)C1(C)C)C

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found in taxon

Peganum nigellastrum

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stated in

Alkaloids and phenylpropanoids from Peganum nigellastrum

Identifiers

InChI

InChI=1S/C33H52O5/c1-20(2)22-11-16-32(28(36)37-8)17-18-33(19-34)23(27(22)32)9-10-25-30(6)14-13-26(38-21(3)35)29(4,5)24(30)12-15-31(25,33)7/h22-27,34H,1,9-19H2,2-8H3

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InChIKey

XQEGNJRCYISSOX-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XQEGNJRCYISSOX-UHFFFAOYSA-N

1 reference

(Q105339647)

Methyl 9-acetyloxy-5a-(hydroxymethyl)-5b,8,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate

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Identifiers

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