(Q105113958)

English

(4bbeta,10aalpha)-Hexadecahydro-4alpha,6beta,8abeta,10alpha-tetraacetoxy-1beta-(benzoyloxy)-2beta,4aalpha,6,9aalpha-tetramethylcyclopenta[b]fluorene-3abeta,8alpha-diol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(4,6,8a,10-tetraacetyloxy-3a,8-dihydroxy-2,4a,6,9a-tetramethyl-2,3,4,4b,5,7,8,9,10,10a-decahydro-1H-cyclopenta[b]fluoren-1-yl) benzoate

1 reference

based on heuristic

inferred from SMILES

mass

658.298926912 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₅H₄₆O₁₂

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canonical SMILES

O=C(OC1C(C)CC2(O)C(OC(=O)C)C3(C)C4CC(OC(=O)C)(C)CC(O)C4(OC(=O)C)CC3(C)C(OC(=O)C)C12)C=5C=CC=CC5

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isomeric SMILES

CC(=O)O[C@@H]1[C@@]2(C)[C@@H]3C[C@@](C)(OC(C)=O)C[C@H](O)[C@]3(OC(C)=O)C[C@@]2(C)[C@H](OC(C)=O)[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H](C)C[C@@]21O

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found in taxon

Euphorbia peplus

1 reference

stated in

Diterpenoids from Euphorbia peplus.

Identifiers

InChI

InChI=1S/C35H46O12/c1-18-14-34(42)26(27(18)45-29(41)23-12-10-9-11-13-23)28(43-19(2)36)32(7)17-35(47-22(5)39)24(33(32,8)30(34)44-20(3)37)15-31(6,16-25(35)40)46-21(4)38/h9-13,18,24-28,30,40,42H,14-17H2,1-8H3/t18-,24-,25-,26+,27-,28+,30+,31+,32-,33+,34+,35-/m0/s1

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InChIKey

IJIJAFBMVYTMPE-ZMHDZMPESA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IJIJAFBMVYTMPE-ZMHDZMPESA-N

1 reference

(Q105113958)

(4bbeta,10aalpha)-Hexadecahydro-4alpha,6beta,8abeta,10alpha-tetraacetoxy-1beta-(benzoyloxy)-2beta,4aalpha,6,9aalpha-tetramethylcyclopenta[b]fluorene-3abeta,8alpha-diol

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Identifiers

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