(Q82935519)

English

3,6-Dihydroxycholest-9(11)-en-23-one

chemical compound

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instance of

type of chemical entity

0 references

subclass of

2-(3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-6-methylheptan-4-one

1 reference

based on heuristic

inferred from SMILES

mass

416.329045268 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₄₄O₃

0 references

canonical SMILES

O=C(CC(C)C)CC(C)C1CCC2C3C(=CCC21C)C4(C)CCC(O)CC4C(O)C3

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isomeric SMILES

C[C@H](CC(=O)CC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC=C3[C@H]2C[C@@H]([C@@H]4[C@@]3(CC[C@@H](C4)O)C)O)C

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found in taxon

Meyenaster gelatinosus

1 reference

stated in

Marine Organic Chemistry, IV. Structure of the Principal Aglycones from the Starfish Meyenaster gelatinosus

Stichaster striatus

1 reference

stated in

Marine Organic Chemistry, III. Isolation of 3β, 6α-Dihydroxy-5α-cholest-9(11)-en-23-one from the Starfish Stichaster striatus

Luidia maculata

1 reference

stated in

Biologisch aktive Glycoside aus Asteroidea, VI. Steroid-Oligoglycoside aus dem SeesternLuidia maculata Müller et Troschel, 1 Die Strukturen eines neuen Aglyconsulfats und von zwei neuen Oligoglycosidsulfaten

Identifiers

InChI

InChI=1S/C27H44O3/c1-16(2)12-19(29)13-17(3)21-6-7-22-20-15-25(30)24-14-18(28)8-10-27(24,5)23(20)9-11-26(21,22)4/h9,16-18,20-22,24-25,28,30H,6-8,10-15H2,1-5H3/t17-,18+,20+,21-,22+,24-,25+,26-,27-/m1/s1

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InChIKey

WCONBNFLHMTKFI-GNGILNPGSA-N

0 references

0 references

1 reference

matched by identifier from

InChIKey

WCONBNFLHMTKFI-GNGILNPGSA-N

SureChEMBL ID

SCHEMBL26641967

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

WCONBNFLHMTKFI-GNGILNPGSA-N

1 reference

1 reference

matched by identifier from

InChIKey

WCONBNFLHMTKFI-GNGILNPGSA-N

DSSTOX compound identifier

0 references

1 reference

WCONBNFLHMTKFI-GNGILNPGSA-N

17 April 2021

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

(Q82935519)

3,6-Dihydroxycholest-9(11)-en-23-one

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