(Q105373234)

English

(3S,4aS,6aR,6bS,8aR,9R,12aR,14aS,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,9-diol

chemical compound

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instance of

type of chemical entity

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subclass of

(3S,6aR,6bS,8aR,9R,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,9-diol

1 reference

based on heuristic

inferred from SMILES

4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,9-diol

1 reference

based on heuristic

inferred from SMILES

mass

442.38108084 dalton

1 reference

1 reference

C₃₀H₅₀O₂

0 references

canonical SMILES

OC1CCC2(C)C(CCC3(C)C2CC=C4C5CC(C)(C)CC(O)C5(C)CCC43C)C1(C)C

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isomeric SMILES

CC1(C)C[C@@H](O)[C@]2(C)CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@H]2C1

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found in taxon

Abrus precatorius

1 reference

stated in

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

Identifiers

InChI

InChI=1S/C30H50O2/c1-25(2)17-20-19-9-10-22-28(6)13-12-23(31)26(3,4)21(28)11-14-30(22,8)29(19,7)16-15-27(20,5)24(32)18-25/h9,20-24,31-32H,10-18H2,1-8H3/t20-,21-,22+,23+,24-,27-,28+,29-,30-/m1/s1

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InChIKey

ZEGUWBQDYDXBNS-ZMJMXESOSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZEGUWBQDYDXBNS-ZMJMXESOSA-N

(Q105373234)

(3S,4aS,6aR,6bS,8aR,9R,12aR,14aS,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,9-diol

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Identifiers

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