GAMBIEROL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C43H64O11
Molecular Weight	756.9617
Optical Activity	UNSPECIFIED
Defined Stereocenters	18 / 18
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@]12C[C@@]3(C)O[C@H]4C[C@H]5O[C@H]6C[C@H]7O[C@@H](CCCO)C[C@H](O)[C@]7(C)O[C@]6(C)C[C@@H]5O[C@@H]4CC[C@@H]3O[C@@H]1C[C@@H]8O[C@H](\C=C/C=C\CC=C)[C@@](C)(O)C=C[C@H]8O2

InChI

InChIKey=GKLILONDTZZKRF-IDJCTBPMSA-N

InChI=1S/C43H64O11/c1-7-8-9-10-11-14-34-39(2,46)18-17-28-30(49-34)22-36-42(5,52-28)25-41(4)35(51-36)16-15-27-31(53-41)21-29-32(48-27)24-40(3)37(50-29)23-38-43(6,54-40)33(45)20-26(47-38)13-12-19-44/h7,9-11,14,17-18,26-38,44-46H,1,8,12-13,15-16,19-25H2,2-6H3/b10-9-,14-11-/t26-,27+,28+,29+,30-,31-,32-,33-,34+,35-,36+,37-,38+,39-,40+,41+,42-,43-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C43H64O11
Molecular Weight	756.9617
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	18 / 18
E/Z Centers	2
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 09:07:08 GMT 2025` Edited by `admin` on `Wed Apr 02 09:07:08 GMT 2025`
Record UNII	844Q8WC5F6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

GAMBIEROL

Common Name

English

(-)-Gambierol

Preferred Name

English

(2S,4S,4AS,5AR,6AS,7AR,9AS,10AR,11AS,13R,14S,16AR,17AS,18AR,19AS,20AR,21AS,22AR)-13-(1Z,3Z)-1,3,6-HEPTATRIEN-1-YL-2,3,4,4A,5A,6,6A,7A,8,9,9A,10A,11,11A,13,14,16A,17A,18,18A,19A,20,20A,21A,22,22A-HEXACOSAHYDRO-2-(3-HYDROXYPROPYL)-4A,5A,14,17A,18A-PENTAMET

Systematic Name

English

OXEPINO(2'',3'':5',6')PYRANO(2',3':5,6)PYRANO(3,2-B)PYRANO(2''',3''':5'',6'')PYRANO(2'',3'':5',6')PYRANO(2',3':5,6)PYRANO(2,3-F)OXEPIN-4,14-DIOL, 13-(1Z,3Z)-1,3,6-HEPTATRIENYL-2,3,4,4A,5A,6,6A,7A,8,9,9A,10A,11,11A,13,14,16A,17A,18,18A,19A,20,20A,21A,22,2

Systematic Name

English

Code System Code Type Description

PUBCHEM

6442244