(Q105212947)

English

(3S,5S,8S,10S,13R,14S,17R)-17-[(2R,5S)-5,6-dimethylhept-6-en-2-yl]-10,13,14-trimethyl-1,2,3,4,5,6,7,8,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

17-(5,6-Dimethylhept-6-en-2-yl)-10,13,14-trimethyl-1,2,3,4,5,6,7,8,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol

1 reference

based on heuristic

inferred from SMILES

mass

412.370516156 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₄₈O

0 references

canonical SMILES

OC1CCC2(C3=CCC4(C)C(CCC4(C)C3CCC2C1)C(C)CCC(C(=C)C)C)C

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isomeric SMILES

C=C(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)C3=CC[C@]12C

0 references

found in taxon

Clerodendrum scandens

1 reference

stated in

(22Z,24S)-Stigmasta-5,22,25-trien-3β-ol and other novel sterols from Clerodendrum scandens: first report of the isolation of a cis-Δ22-unsaturated sterol from a higher plant

Glossocarya scandens

1 reference

stated in

(22Z,24S)-Stigmasta-5,22,25-trien-3β-ol and other novel sterols from Clerodendrum scandens: first report of the isolation of a cis-Δ22-unsaturated sterol from a higher plant

Clerodendrum umbellatum

1 reference

stated in

(22Z,24S)-Stigmasta-5,22,25-trien-3β-ol and other novel sterols from Clerodendrum scandens: first report of the isolation of a cis-Δ22-unsaturated sterol from a higher plant

Identifiers

InChI

InChI=1S/C29H48O/c1-19(2)20(3)8-9-21(4)24-13-16-29(7)26-11-10-22-18-23(30)12-15-27(22,5)25(26)14-17-28(24,29)6/h14,20-24,26,30H,1,8-13,15-18H2,2-7H3/t20-,21+,22-,23-,24+,26+,27-,28+,29-/m0/s1

0 references

InChIKey

PPLBCBXZJWOHPU-PMVZZKQKSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105212947)

(3S,5S,8S,10S,13R,14S,17R)-17-[(2R,5S)-5,6-dimethylhept-6-en-2-yl]-10,13,14-trimethyl-1,2,3,4,5,6,7,8,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol

Statements

Identifiers

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