(Q104979201)

English

(3S,8S,9S,10R,13R,14S,17S)-10,13-dimethyl-17-[(2R,5R)-6-methyl-5-propan-2-ylhept-6-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

chemical compound

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instance of

type of chemical entity

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subclass of

1-(5-isopropyl-6-methylhept-6-en-2-yl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-7-ol

1 reference

based on heuristic

inferred from SMILES

mass

426.38616622 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

24S-isopropenyl-cholesterol

1 reference

based on heuristic

inferred from InChI

(24R)-24-Isopropenylcholesta-5-ene-3beta-ol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₅₀O

0 references

canonical SMILES

OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C)CCC(C(=C)C)C(C)C)C2(C)CC1

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isomeric SMILES

C=C(C)[C@H](CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C

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found in taxon

Ervilia purpurea

2 references

stated in

Studies on the constituents of orchidaceous plants. VII The C-24 stereochemistry of cyclohomonervilol and 24-isopropenylcholesterol, non-conventional side chain triterpene and sterol, from Nervilia purpurea Schlechter.

stated in

Occurrence of non-conventional side chain sterols in an orchidaceous plant, Nervilia purpurea Schlechter and structure of nervisterol.

Nervilia plicata

2 references

stated in

Studies on the constituents of orchidaceous plants. VII The C-24 stereochemistry of cyclohomonervilol and 24-isopropenylcholesterol, non-conventional side chain triterpene and sterol, from Nervilia purpurea Schlechter.

stated in

Occurrence of non-conventional side chain sterols in an orchidaceous plant, Nervilia purpurea Schlechter and structure of nervisterol.

Identifiers

InChI

InChI=1S/C30H50O/c1-19(2)24(20(3)4)10-8-21(5)26-12-13-27-25-11-9-22-18-23(31)14-16-29(22,6)28(25)15-17-30(26,27)7/h9,20-21,23-28,31H,1,8,10-18H2,2-7H3/t21-,23+,24+,25+,26+,27+,28+,29+,30-/m1/s1

0 references

InChIKey

DGSFHNTYGAUZML-YJSQRPAZSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DGSFHNTYGAUZML-YJSQRPAZSA-N

(Q104979201)

(3S,8S,9S,10R,13R,14S,17S)-10,13-dimethyl-17-[(2R,5R)-6-methyl-5-propan-2-ylhept-6-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

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