CYTOSPOROLIDE A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C33H48O9
Molecular Weight	588.7288
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCCCCC[C@@H]1CC2=C3[C@H](O1)[C@H]4[C@@H](OC)C=C(CO)[C@H]5CC(C)(C)[C@]5(O)[C@@H](O)C[C@]4(C)OC3=C(C(O)=O)C(O)=C2

InChI

InChIKey=WUUHSTNBLLDBED-NLXSCCDYSA-N

InChI=1S/C33H48O9/c1-6-7-8-9-10-11-20-12-18-13-22(35)26(30(37)38)28-25(18)29(41-20)27-23(40-5)14-19(17-34)21-15-31(2,3)33(21,39)24(36)16-32(27,4)42-28/h13-14,20-21,23-24,27,29,34-36,39H,6-12,15-17H2,1-5H3,(H,37,38)/b19-14-/t20-,21-,23+,24+,27-,29+,32+,33-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C33H48O9
Molecular Weight	588.7288
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 07:27:34 GMT 2025` Edited by `admin` on `Wed Apr 02 07:27:34 GMT 2025`
Record UNII	JL1RVG31LW
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CYTOSPOROLIDE A

Common Name

English

(+)-CYTOSPOROLIDE A

Preferred Name

English

(2R,7AS,9S,9AS,11AR,12E,14S,14AR,14BR)-2-HEPTYL-2,3,7A,8,9,9A,10,11,11A,14,14A,14B-DODECAHYDRO-5,9,9A-TRIHYDROXY-12-(HYDROXYMETHYL)-14-METHOXY-7A,10,10-TRIMETHYLCYCLOBUTA(6,7)CYCLONONA(1,2-B)PYRANO(2,3,4-DE)(1)BENZOPYRAN-6-CARBOXYLIC ACID

Systematic Name

English

CYTOSPOROLIDE A [MI]

Common Name

English

CYCLOBUTA(6,7)CYCLONONA(1,2-B)PYRANO(2,3,4-DE)(1)BENZOPYRAN-6-CARBOXYLIC ACID, 2-HEPTYL-2,3,7A,8,9,9A,10,11,11A,14,14A,14B-DODECAHYDRO-5,9,9A-TRIHYDROXY-12-(HYDROXYMETHYL)-14-METHOXY-7A,10,10-TRIMETHYL-, (2R,7AS,9S,9AS,11AR,12E,14S,14AR,14BR)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

56590721

Created by admin on Wed Apr 02 07:27:34 GMT 2025 , Edited by admin on Wed Apr 02 07:27:34 GMT 2025

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FDA UNII

JL1RVG31LW

Created by admin on Wed Apr 02 07:27:34 GMT 2025 , Edited by admin on Wed Apr 02 07:27:34 GMT 2025

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MERCK INDEX

m11889

Created by admin on Wed Apr 02 07:27:34 GMT 2025 , Edited by admin on Wed Apr 02 07:27:34 GMT 2025

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CAS

1235550-77-2

Created by admin on Wed Apr 02 07:27:34 GMT 2025 , Edited by admin on Wed Apr 02 07:27:34 GMT 2025

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