(Q105234268)

English

(4R,6bR,10S,12aS)-4,10-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,4a,5,6,6a,7,8,8a,10,11,12,14-tetradecahydropicen-13-one

group of stereoisomers with the chemical formula C₂₉H₄₆O₃

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

442.344695332 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₉H₄₆O₃

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canonical SMILES

O=C1CC2=C3CC(C)(C)CC(O)C3CCC2(C)C4(C)CCC5C(C)(C)C(O)CCC5(C)C14

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isomeric SMILES

CC1(C)CC2=C3CC(=O)C4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]4(C)C3(C)CCC2[C@H](O)C1

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found in taxon

Abrus precatorius

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stated in

A new sapogenol and other constituents in Abri Semen, the seeds of Abrus precatorius L. I.

Identifiers

InChI

InChI=1S/C29H46O3/c1-25(2)15-18-17(21(31)16-25)8-12-28(6)19(18)14-20(30)24-27(5)11-10-23(32)26(3,4)22(27)9-13-29(24,28)7/h17,21-24,31-32H,8-16H2,1-7H3/t17?,21-,22?,23+,24?,27+,28?,29-/m1/s1

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InChIKey

RDKANLLZYLEUHR-UMLCDBMNSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

RDKANLLZYLEUHR-UMLCDBMNSA-N

1 reference

(Q105234268)

(4R,6bR,10S,12aS)-4,10-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,4a,5,6,6a,7,8,8a,10,11,12,14-tetradecahydropicen-13-one

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Identifiers

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