ISORORIDIN A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H40O9
Molecular Weight	532.6225
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@H](O)[C@@H]1OCC[C@@H](C)[C@H](O)C(=O)OC[C@]23CCC(C)=C[C@H]2O[C@@H]4C[C@@H](OC(=O)\C=C\C=C\1)[C@@]3(C)[C@]45CO5

InChI

InChIKey=NSFWWJIQIKBZMJ-AJCAISIOSA-N

InChI=1S/C29H40O9/c1-17-9-11-28-15-35-26(33)25(32)18(2)10-12-34-20(19(3)30)7-5-6-8-24(31)38-21-14-23(37-22(28)13-17)29(16-36-29)27(21,28)4/h5-8,13,18-23,25,30,32H,9-12,14-16H2,1-4H3/b7-5+,8-6+/t18-,19+,20-,21-,22-,23-,25+,27-,28-,29+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C29H40O9
Molecular Weight	532.6225
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 12:44:04 GMT 2025` Edited by `admin` on `Wed Apr 02 12:44:04 GMT 2025`
Record UNII	T7C9L3ZAP7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ISORORIDIN A-

Preferred Name

English

ISORORIDIN A

Common Name

English

VERRUCARIN A, 7'-DEOXO-7'-((1S)-1-HYDROXYETHYL)-, (7'R)-

Systematic Name

English

ISORORIDIN-A

Common Name

English

(1R,3R,8R,12S,13R,17R,18E,20E,24R,25S,26S)-12-HYDROXY-17-((1S)-1-HYDROXYETHYL)-5,13,25-TRIMETHYLSPIRO(2,10,16,23-TETRAOXATETRACYCLO(22.2.1.03,8.08,25)HEPTACOSA-4,18,20-TRIENE-26,2'-OXIRANE)-11,22-DIONE

Systematic Name

English

Code System Code Type Description

FDA UNII

T7C9L3ZAP7

Created by admin on Wed Apr 02 12:44:04 GMT 2025 , Edited by admin on Wed Apr 02 12:44:04 GMT 2025

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CAS

84773-08-0

Created by admin on Wed Apr 02 12:44:04 GMT 2025 , Edited by admin on Wed Apr 02 12:44:04 GMT 2025

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PUBCHEM

6440754

Created by admin on Wed Apr 02 12:44:04 GMT 2025 , Edited by admin on Wed Apr 02 12:44:04 GMT 2025

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