ISOACTEOSIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H36O15
Molecular Weight	624.5871
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]4(O[C@H]1[C@H](O)[C@@H](COC(=O)\C=C\C2=CC(O)=C(O)C=C2)O[C@@H](OCCC3=CC(O)=C(O)C=C3)[C@@H]1O)O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O

InChI

InChIKey=FNMHEHXNBNCPCI-QEOJJFGVSA-N

InChI=1S/C29H36O15/c1-13-22(35)24(37)25(38)29(42-13)44-27-23(36)20(12-41-21(34)7-4-14-2-5-16(30)18(32)10-14)43-28(26(27)39)40-9-8-15-3-6-17(31)19(33)11-15/h2-7,10-11,13,20,22-33,35-39H,8-9,12H2,1H3/b7-4+/t13-,20+,22-,23+,24+,25+,26+,27-,28+,29-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C29H36O15
Molecular Weight	624.5871
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 20:38:02 UTC 2023` Edited by `admin` on `Fri Dec 15 20:38:02 UTC 2023`
Record UNII	588LJK42AP
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ISOACTEOSIDE

Common Name

English

ISOVERBASCOSIDE

Common Name

English

NSC-729649

Code

English

.BETA.-D-GLUCOPYRANOSIDE, 2-(3,4-DIHYDROXYPHENYL)ETHYL 3-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)-, 6-((2E)-3-(3,4-DIHYDROXYPHENYL)-2-PROPENOATE)

Systematic Name

English

Code System Code Type Description

CAS

61303-13-7