(Q105285850)

English

(3R,3aR,5aS,6R,7aS,9S,11aS,13aS,13bR)-6,9-dihydroxy-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-2,3,4,5,6,7,7a,9,10,11,13,13b-dodecahydro-1H-cyclopenta[a]chrysen-12-one

chemical compound

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instance of

type of chemical entity

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subclass of

6,9-dihydroxy-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-2,3,4,5,6,7,7a,9,10,11,13,13b-dodecahydro-1H-cyclopenta[a]chrysen-12-one

1 reference

based on heuristic

inferred from SMILES

mass

456.360345396 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₈O₃

0 references

canonical SMILES

O=C1C2=C(C(O)CC3C2(C)CCC(O)C3(C)C)C4(C)CCC5(C)C(CCC5C4(C)C1)C(C)C

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isomeric SMILES

CC(C)[C@H]1CC[C@H]2[C@]3(C)CC(=O)C4=C([C@H](O)C[C@@H]5C(C)(C)[C@@H](O)CC[C@]45C)[C@@]3(C)CC[C@]12C

0 references

found in taxon

Euphorbia supina

2 references

stated in

Obtusifoliol and related steroids from the whole herb of Euphorbia chamaesyce

stated in

Supinenolones A, B and C, fernane type triterpenoids from Euphorbia supina

Euphorbia maculata

2 references

stated in

Obtusifoliol and related steroids from the whole herb of Euphorbia chamaesyce

stated in

Supinenolones A, B and C, fernane type triterpenoids from Euphorbia supina

Identifiers

InChI

InChI=1S/C30H48O3/c1-17(2)18-9-10-21-27(18,5)13-14-29(7)25-19(31)15-22-26(3,4)23(33)11-12-28(22,6)24(25)20(32)16-30(21,29)8/h17-19,21-23,31,33H,9-16H2,1-8H3/t18-,19-,21-,22-,23+,27-,28+,29-,30+/m1/s1

0 references

InChIKey

VGKDKBUHLQYHBS-IMERCQHSSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105285850)

(3R,3aR,5aS,6R,7aS,9S,11aS,13aS,13bR)-6,9-dihydroxy-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-2,3,4,5,6,7,7a,9,10,11,13,13b-dodecahydro-1H-cyclopenta[a]chrysen-12-one

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