SCILLAREN A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C36H52O13
Molecular Weight	692.7903
Optical Activity	UNSPECIFIED
Defined Stereocenters	17 / 17
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@@H]1O[C@@H](O[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CCC3=C2)C6=COC(=O)C=C6)[C@H](O)[C@H](O)[C@H]1O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O

InChI

InChIKey=NXJOCELNFPGKIV-ARHXXGKOSA-N

InChI=1S/C36H52O13/c1-17-31(49-33-29(42)27(40)26(39)24(15-37)48-33)28(41)30(43)32(46-17)47-20-8-11-34(2)19(14-20)5-6-23-22(34)9-12-35(3)21(10-13-36(23,35)44)18-4-7-25(38)45-16-18/h4,7,14,16-17,20-24,26-33,37,39-44H,5-6,8-13,15H2,1-3H3/t17-,20-,21+,22-,23+,24+,26+,27-,28-,29+,30+,31-,32-,33-,34-,35+,36-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C36H52O13
Molecular Weight	692.7903
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:08:53 GMT 2025` Edited by `admin` on `Mon Mar 31 22:08:53 GMT 2025`
Record UNII	H92KP5H7C6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-7525

Preferred Name

English

SCILLAREN A

Common Name

English

GLUCOPROSCILLARIDIN A

Common Name

English

BUFA-4,20,22-TRIENOLIDE, 3-((6-DEOXY-4-O-.BETA.-D-GLUCOPYRANOSYL-.ALPHA.-L-MANNOPYRANOSYL)OXY)-14-HYDROXY-, (3.BETA.)-

Common Name

English

SCILLAREN A [MI]

Common Name

English

(3.BETA.)-3-((6-DEOXY-4-O-.BETA.-D-GLUCOPYRANOSYL-.ALPHA.-L-MANNOPYRANOSYL)OXY)-14-HYDROXYBUFA-4,20,22-TRIENOLIDE

Common Name

English

TRANSVAALIN

Common Name

English

Code System Code Type Description

CHEBI

27831