RUBIJERVINE HYDROBROMIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H43NO2.BrH
Molecular Weight	494.548
Optical Activity	UNSPECIFIED
Defined Stereocenters	12 / 12
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Br.[H][C@]12CC[C@H](C)CN1[C@@]3([H])C[C@@]4([H])[C@]5([H])CC=C6C[C@@H](O)CC[C@]6(C)[C@@]5([H])C[C@H](O)[C@]4(C)[C@@]3([H])[C@@H]2C

InChI

InChIKey=PPEMMFKVVCNBIW-VSLCWLCYSA-N

InChI=1S/C27H43NO2.BrH/c1-15-5-8-22-16(2)25-23(28(22)14-15)12-21-19-7-6-17-11-18(29)9-10-26(17,3)20(19)13-24(30)27(21,25)4;/h6,15-16,18-25,29-30H,5,7-14H2,1-4H3;1H/t15-,16+,18-,19+,20-,21-,22+,23-,24-,25-,26-,27+;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C27H43NO2
Molecular Weight	413.6358
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	11 / 12
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	BrH
Molecular Weight	80.912
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:36:16 UTC 2023` Edited by `admin` on `Sat Dec 16 09:36:16 UTC 2023`
Record UNII	315F1IML2G
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

RUBIJERVINE HYDROBROMIDE

Common Name

English

SOLANID-5-ENE-3,12-DIOL, HYDROBROMIDE, (3.BETA.,12.ALPHA.)-

Common Name

English

RUBIJERVINE HYDROBROMIDE [MI]

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID30977115