VESCALAGIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C41H26O26
Molecular Weight	934.6295
Optical Activity	UNSPECIFIED
Additional Stereochemistry	Yes
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0
Stereo Comments	AXIAL, S,R,S

SHOW SMILES / InChI

Structure Search

SMILES

O[C@@H]1[C@@H]2OC(=O)C3=C1C(O)=C(O)C(O)=C3C4=C(O)C(O)=C(O)C5=C4C(=O)O[C@H]2[C@@H]6OC(=O)C7=CC(O)=C(O)C(O)=C7C8=C(C=C(O)C(O)=C8O)C(=O)OC[C@H]6OC(=O)C9=CC(O)=C(O)C(O)=C59

InChI

InChIKey=UDYKDZHZAKSYCO-CIBWSTISSA-N

InChI=1S/C41H26O26/c42-8-1-5-12(24(48)21(8)45)13-6(2-9(43)22(46)25(13)49)39(60)65-34-11(4-63-37(5)58)64-38(59)7-3-10(44)23(47)26(50)14(7)15-18-16(28(52)32(56)27(15)51)17-19-20(30(54)33(57)29(17)53)31(55)35(66-41(19)62)36(34)67-40(18)61/h1-3,11,31,34-36,42-57H,4H2/t11-,31+,34-,35+,36+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C41H26O26
Molecular Weight	934.6295
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 16:51:22 GMT 2025` Edited by `admin` on `Tue Apr 01 16:51:22 GMT 2025`
Record UNII	CE78QAZ4U2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-297812

Preferred Name

English

VESCALAGIN

Common Name

English

1-EPI-CASTALAGIN

Common Name

English

STEREOISOMER OF 15A,28A,29,30-TETRAHYDRO-2,3,4,6,7,8,10,11,12,20,21,22,23,24,25,33-HEXADECAHYDROXY-32H-29,5,9-(EPOXYETHANYLYLIDYNE)-1,30-METHANO-14H,16H-DIBENZO(H,O)DIBENZO(7,8:9,10)(1,5)DIOXACYCLOUNDECINO(3,2-B)(1,6)DIOXACYCLOHEPTADECIN-14,18,27,32,35-P

Common Name

English

32H-29,5,9-(EPOXYETHANYLYLIDYNE)-1,30-METHANO-14H,16H-DIBENZO(H,O)DIBENZO(7,8:9,10)(1,5)DIOXACYCLOUNDECINO(3,2-B)(1,6)DIOXACYCLOHEPTADECIN-14,18,27,32,35-PENTONE, 15A,28A,29,30-TETRAHYDRO-2,3,4,6,7,8,10,11,12,20,21,22,23,24,25,33-HEXADECAHYDROXY-, STEREO

Common Name

English

Code System Code Type Description

PUBCHEM

12302512