THAPSIGARGIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C34H50O12
Molecular Weight	650.7536
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12OC(=O)[C@@](C)(O)[C@@]1(O)[C@H](C[C@](C)(OC(C)=O)[C@@]3([H])[C@H](OC(=O)CCCCCCC)[C@@H](OC(=O)C(\C)=C/C)C(C)=C23)OC(=O)CCC

InChI

InChIKey=IXFPJGBNCFXKPI-FSIHEZPISA-N

InChI=1S/C34H50O12/c1-9-12-13-14-15-17-24(37)43-28-26-25(20(5)27(28)44-30(38)19(4)11-3)29-34(41,33(8,40)31(39)45-29)22(42-23(36)16-10-2)18-32(26,7)46-21(6)35/h11,22,26-29,40-41H,9-10,12-18H2,1-8H3/b19-11-/t22-,26+,27-,28-,29-,32-,33+,34+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C34H50O12
Molecular Weight	650.7536
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:07:37 UTC 2023` Edited by `admin` on `Sat Dec 16 08:07:37 UTC 2023`
Record UNII	Z96BQ26RZD
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

THAPSIGARGIN

Common Name

English

OCTANOIC ACID, (3S,3AR,4S,6S,6AR,7S,8S,9BS)-6-(ACETYLOXY)-2,3,3A,4,5,6,6A,7,8,9B-DECAHYDRO-3,3A-DIHYDROXY-3,6,9-TRIMETHYL-8-(((2Z)-2-METHYL-1-OXO-2-BUTEN-1-YL)OXY)-2-OXO-4-(1-OXOBUTOXY)AZULENO(4,5-B)FURAN-7-YL ESTER

Common Name

English

(-)-THAPSIGARGIN

Common Name

English

THAPSIGARGIN [MI]

Common Name

English

Code System Code Type Description

MESH

D019284