ICARIIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C33H40O15
Molecular Weight	676.6617
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC=C(C=C1)C2=C(O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)C(=O)C4=C(O)C=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(CC=C(C)C)=C4O2

InChI

InChIKey=TZJALUIVHRYQQB-XLRXWWTNSA-N

InChI=1S/C33H40O15/c1-13(2)5-10-17-19(45-33-28(42)26(40)23(37)20(12-34)46-33)11-18(35)21-24(38)31(48-32-27(41)25(39)22(36)14(3)44-32)29(47-30(17)21)15-6-8-16(43-4)9-7-15/h5-9,11,14,20,22-23,25-28,32-37,39-42H,10,12H2,1-4H3/t14-,20+,22-,23+,25+,26-,27+,28+,32-,33+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C33H40O15
Molecular Weight	676.6617
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 `Fri Dec 15 18:05:05 UTC 2023` Edited by `admin` on `Fri Dec 15 18:05:05 UTC 2023`
Record UNII	VNM47R2QSQ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ICARIIN

Common Name

English

4H-1-BENZOPYRAN-4-ONE, 3-((6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)OXY)-7-(.BETA.-D-GLUCOPYRANOSYLOXY)-5-HYDROXY-2-(4-METHOXYPHENYL)-8-(3-METHYL-2-BUTEN-1-YL)-

Systematic Name

English

EPIMEDII HERBA ICARIIN [MI]

Common Name

English

Classification Tree Code System Code

DSLD

1125 (Number of products:24)