CIMIRACEMOSIDE P

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C37H54O11
Molecular Weight	674.8181
Optical Activity	UNSPECIFIED
Defined Stereocenters	18 / 18
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12C[C@@]3(C)[C@]4([H])CC[C@]5([H])[C@]6(C[C@@]46C[C@@H](OC(C)=O)[C@]3(C)[C@@]1([H])[C@H](C)C[C@]7(OC(=O)[C@]8(C)O[C@H]78)O2)CC[C@H](O[C@]9([H])OC[C@@H](O)[C@H](O)[C@H]9O)C5(C)C

InChI

InChIKey=KRKLOCQWMFXIPR-VHTKLTLISA-N

InChI=1S/C37H54O11/c1-17-12-37(29-34(7,47-29)30(42)48-37)46-20-13-32(5)22-9-8-21-31(3,4)23(45-28-27(41)26(40)19(39)15-43-28)10-11-35(21)16-36(22,35)14-24(44-18(2)38)33(32,6)25(17)20/h17,19-29,39-41H,8-16H2,1-7H3/t17-,19-,20+,21+,22+,23+,24-,25+,26+,27-,28+,29+,32+,33-,34-,35-,36+,37-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C37H54O11
Molecular Weight	674.8181
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	17 / 18
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:53:25 GMT 2023` Edited by `admin` on `Sat Dec 16 10:53:25 GMT 2023`
Record UNII	DF3972404L
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CIMIRACEMOSIDE P

Common Name

English

9,19-CYCLOLANOSTAN-26-OIC ACID, 12-(ACETYLOXY)-16,23:24,25-DIEPOXY-23-HYDROXY-3-(.BETA.-D-XYLOPYRANOSYLOXY)-, .DELTA.-LACTONE, (3.BETA.,12.BETA.,16.BETA.,23R,24S,25R)-

Systematic Name

English

CIMIRACEMOSIDE P, (-)-

Common Name

English

Code System Code Type Description

CAS

473554-80-2

Created by admin on Sat Dec 16 10:53:25 GMT 2023 , Edited by admin on Sat Dec 16 10:53:25 GMT 2023

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PUBCHEM

91827183

Created by admin on Sat Dec 16 10:53:25 GMT 2023 , Edited by admin on Sat Dec 16 10:53:25 GMT 2023

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FDA UNII

DF3972404L

Created by admin on Sat Dec 16 10:53:25 GMT 2023 , Edited by admin on Sat Dec 16 10:53:25 GMT 2023

PRIMARY

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