(Q105269246)

English

(3S,8R,9R,10R,13R,14R,17R)-10,13-dimethyl-17-[(E,2R,5S)-5-methylhept-3-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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Statements

instance of

type of chemical entity

0 references

subclass of

9a,11a-dimethyl-1-(5-methylhept-3-en-2-yl)-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

384.339216028 dalton

1 reference

1 reference

27-nor-ergosta-5,22E-dien-3beta-ol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₇H₄₄O

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canonical SMILES

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

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isomeric SMILES

CC[C@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C

0 references

found in taxon

Pseudopotamilla occelata

1 reference

stated in

Marine sterols. V. Isolation and structure of occelasterol, a new 27-norergostane-type sterol, from an annelida, Pseudopotamilla occelata

Identifiers

InChI

InChI=1S/C27H44O/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/h7-9,18-19,21-25,28H,6,10-17H2,1-5H3/b8-7+/t18-,19+,21-,22+,23+,24+,25+,26-,27+/m0/s1

0 references

InChIKey

UBEHHDQAQBJTAE-QKQGVUIASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UBEHHDQAQBJTAE-QKQGVUIASA-N

(Q105269246)

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

Statements

Identifiers

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