Cyclopamine enone

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H39NO2
Molecular Weight	409.6041
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12C[C@H](C)CN[C@@]1([H])[C@@H](C)[C@@]3(CC[C@]4([H])C(C[C@@]5([H])[C@@]4([H])CCC6=CC(=O)CC[C@]56C)=C3C)O2

InChI

InChIKey=SKWIGGSUCKQTMK-XDDOBYEYSA-N

InChI=1S/C27H39NO2/c1-15-11-24-25(28-14-15)17(3)27(30-24)10-8-20-21-6-5-18-12-19(29)7-9-26(18,4)23(21)13-22(20)16(27)2/h12,15,17,20-21,23-25,28H,5-11,13-14H2,1-4H3/t15-,17+,20-,21-,23-,24+,25-,26-,27-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C27H39NO2
Molecular Weight	409.6041
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:48:12 GMT 2023` Edited by `admin` on `Sat Dec 16 10:48:12 GMT 2023`
Record UNII	6SAN4U6HM2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Cyclopamine enone

Common Name

English

Jervine, 4,5-didehydro-11-deoxo-3-deoxy-5,6-dihydro-3-oxo-

Common Name

English

(2′R,3′R,3′aS,6′S,6aS,6bS,7′aR,11aS,11bR)-1,3′a,4′,5,5′,6,6′,6a,6b,7,7′,7′a,8,11,11a,11b-Hexadecahydro-3′,6′,10,11b-tetramethylspiro[9H-benzo[a]fluorene-9,2′(3′H)-furo[3,2-b]pyridin]-3(2H)-one

Systematic Name

English

(3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3',6',10,11b-tetramethylspiro[1,2,5,6,6a,6b,7,8,11,11a-decahydrobenzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3-one

Systematic Name

English

Veratraman-3-one, 4,5-didehydro-17,23-epoxy-5,6-dihydro-, (23β)-

Common Name

English

Spiro[9H-benzo[a]fluorene-9,2′(3′H)-furo[3,2-b]pyridin]-3(2H)-one, 1,3′a,4′,5,5′,6,6′,6a,6b,7,7′,7′a,8,11,11a,11b-hexadecahydro-3′,6′,10,11b-tetramethyl-, (2′R,3′R,3′aS,6′S,6aS,6bS,7′aR,11aS,11bR)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

197929

Created by admin on Sat Dec 16 10:48:12 GMT 2023 , Edited by admin on Sat Dec 16 10:48:12 GMT 2023

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EPA CompTox

DTXSID60162618

Created by admin on Sat Dec 16 10:48:12 GMT 2023 , Edited by admin on Sat Dec 16 10:48:12 GMT 2023

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CAS

14410-98-1

Created by admin on Sat Dec 16 10:48:12 GMT 2023 , Edited by admin on Sat Dec 16 10:48:12 GMT 2023

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FDA UNII

6SAN4U6HM2

Created by admin on Sat Dec 16 10:48:12 GMT 2023 , Edited by admin on Sat Dec 16 10:48:12 GMT 2023

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