(Q105273896)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

10,13-dimethyl-17-(6-methylhept-3-en-2-yl)-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

1 reference

based on heuristic

inferred from SMILES

mass

384.339216028 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₄₄O

0 references

canonical SMILES

OC1CCC2(C3=C(CCC2C1)C4CCC(C(C=CCC(C)C)C)C4(C)CC3)C

0 references

isomeric SMILES

CC(C)C/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1CC3

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/C27H44O/c1-18(2)7-6-8-19(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/h6,8,18-21,23-24,28H,7,9-17H2,1-5H3/b8-6+/t19-,20+,21+,23-,24+,26+,27-/m1/s1

0 references

InChIKey

UJELMAYUQSGICC-QHAMOUHGSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UJELMAYUQSGICC-QHAMOUHGSA-N

(Q105273896)

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

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Identifiers

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