ISORUBIJERVINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H43NO2
Molecular Weight	413.6358
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@@H]1[C@H]2CC[C@H](C)CN2[C@H]3C[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]4(CO)[C@@H]13

InChI

InChIKey=NMFWDNZLNHRNAT-SBEAXSITSA-N

InChI=1S/C27H43NO2/c1-16-4-7-23-17(2)25-24(28(23)14-16)13-22-20-6-5-18-12-19(30)8-10-26(18,3)21(20)9-11-27(22,25)15-29/h5,16-17,19-25,29-30H,4,6-15H2,1-3H3/t16-,17+,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 / 11
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:59:13 GMT 2025` Edited by `admin` on `Mon Mar 31 22:59:13 GMT 2025`
Record UNII	E09X2254A7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-226131

Preferred Name

English

ISORUBIJERVINE

Common Name

English

ISORUBIJERVINE [MI]

Common Name

English

SOLANID-5-ENE-3,18-DIOL, (3.BETA.)-

Systematic Name

English

SOLANID-5-ENE-3.BETA.,18-DIOL

Systematic Name

English

Code System Code Type Description

MERCK INDEX

m787