(Q105168542)

English

(3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(E,2R,5R)-5-methylhept-3-en-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol

chemical compound

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instance of

type of chemical entity

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subclass of

10,13-dimethyl-17-(5-methylhept-3-en-2-yl)-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol

1 reference

based on heuristic

inferred from SMILES

mass

382.323565964 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(E,2R,5S)-5-methylhept-3-en-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₇H₄₂O

0 references

canonical SMILES

OC1CC2=CC=C3C(CCC4(C)C3CCC4C(C=CC(C)CC)C)C2(C)CC1

0 references

isomeric SMILES

CC[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C

0 references

found in taxon

Axinella cannabina

1 reference

stated in

Minor and trace sterols in marine invertebrates. Part 35. Isolation and structure elucidation of seventy-four sterols from the sponge Axinella cannabina

Identifiers

InChI

InChI=1S/C27H42O/c1-6-18(2)7-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7-10,18-19,21,23-25,28H,6,11-17H2,1-5H3/b8-7+/t18-,19-,21+,23-,24+,25+,26+,27-/m1/s1

0 references

InChIKey

MNROHYHANPHBJO-PXRBUVNCSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MNROHYHANPHBJO-PXRBUVNCSA-N

(Q105168542)

(3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(E,2R,5R)-5-methylhept-3-en-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol

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