CIMICIFUGOSIDE H-3

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C32H48O9
Molecular Weight	576.7181
Optical Activity	UNSPECIFIED
Defined Stereocenters	13 / 13
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]1([C@H](C)CC(=O)CO)C(=O)C[C@@]2(C)C3=CC[C@]4([H])[C@]5(C[C@@]35[C@@H](O)C[C@]12C)CC[C@H](O[C@]6([H])OC[C@@H](O)[C@H](O)[C@H]6O)C4(C)C

InChI

InChIKey=QMZIBXOWLZVKEF-JCAQTXDJSA-N

InChI=1S/C32H48O9/c1-16(10-17(34)13-33)24-18(35)11-29(4)21-7-6-20-28(2,3)23(41-27-26(39)25(38)19(36)14-40-27)8-9-31(20)15-32(21,31)22(37)12-30(24,29)5/h7,16,19-20,22-27,33,36-39H,6,8-15H2,1-5H3/t16-,19-,20+,22+,23+,24+,25+,26-,27+,29+,30-,31-,32+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C32H48O9
Molecular Weight	576.7181
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	13 / 13
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 22:07:13 UTC 2023` Edited by `admin` on `Fri Dec 15 22:07:13 UTC 2023`
Record UNII	561Z0P7AEV
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CIMICIFUGOSIDE H-3

Common Name

English

9,19-CYCLOCHOL-7-ENE-16,23-DIONE, 11,24-DIHYDROXY-4,4,14-TRIMETHYL-3-(.BETA.-D-XYLOPYRANOSYLOXY)-, (3.BETA.,11.BETA.)-

Common Name

English

CIMICIFUGOSIDE H 3

Common Name

English

CIMICIFUGOSIDE H-3, (-)-

Common Name

English

Code System Code Type Description

CAS

163046-74-0

Created by admin on Fri Dec 15 22:07:13 UTC 2023 , Edited by admin on Fri Dec 15 22:07:13 UTC 2023

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FDA UNII

561Z0P7AEV

Created by admin on Fri Dec 15 22:07:13 UTC 2023 , Edited by admin on Fri Dec 15 22:07:13 UTC 2023

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PUBCHEM

15241164

Created by admin on Fri Dec 15 22:07:13 UTC 2023 , Edited by admin on Fri Dec 15 22:07:13 UTC 2023

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