CIMIRACEMOSIDE B (C36)

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C36H58O9
Molecular Weight	634.8403
Optical Activity	UNSPECIFIED
Defined Stereocenters	17 / 17
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12[C@H](C)C[C@H]3O[C@@]1(O[C@@H]3C(C)(C)OC)[C@H](O)[C@@]4(C)[C@]5([H])CC[C@]6([H])[C@]7(C[C@@]57CC[C@]24C)CC[C@H](O[C@]8([H])OC[C@H](O)[C@H](O)[C@H]8O)C6(C)C

InChI

InChIKey=LAOCOVISLMUJNC-NORDHZMASA-N

InChI=1S/C36H58O9/c1-18-15-20-27(31(4,5)41-8)45-36(44-20)26(18)32(6)13-14-35-17-34(35)12-11-23(43-28-25(39)24(38)19(37)16-42-28)30(2,3)21(34)9-10-22(35)33(32,7)29(36)40/h18-29,37-40H,9-17H2,1-8H3/t18-,19+,20-,21+,22+,23+,24+,25-,26-,27+,28+,29-,32-,33-,34-,35+,36+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C36H58O9
Molecular Weight	634.8403
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	16 / 17
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 22:08:37 GMT 2023` Edited by `admin` on `Fri Dec 15 22:08:37 GMT 2023`
Record UNII	3TG3M7GRP4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CIMIRACEMOSIDE B (C36)

Common Name

English

.ALPHA.-L-ARABINOPYRANOSIDE, (3.BETA.,15.ALPHA.,16.ALPHA.,23R,24S)-16,23:16,24-DIEPOXY-15-HYDROXY-25-METHOXY-9,19-CYCLOLANOSTAN-3-YL

Common Name

English

25-O-METHOXYCIMIGENOL 3-O-.ALPHA.-L-ARABINOPYRANOSIDE (24S) (CONSTITUENT OF BLACK COHOSH) [DSC]

Common Name

English

25-O-METHOXYCIMIGENOL 3-O-.ALPHA.-L-ARABINOPYRANOSIDE

Common Name

English

Code System Code Type Description

FDA UNII

3TG3M7GRP4

Created by admin on Fri Dec 15 22:08:37 GMT 2023 , Edited by admin on Fri Dec 15 22:08:37 GMT 2023

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PUBCHEM

70697881

Created by admin on Fri Dec 15 22:08:37 GMT 2023 , Edited by admin on Fri Dec 15 22:08:37 GMT 2023

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CAS

343249-40-1

Created by admin on Fri Dec 15 22:08:37 GMT 2023 , Edited by admin on Fri Dec 15 22:08:37 GMT 2023

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