INDACONITINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C34H47NO10
Molecular Weight	629.7377
Optical Activity	UNSPECIFIED
Defined Stereocenters	14 / 14
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCN1C[C@@]2(COC)[C@H]3[C@@H](OC)[C@H]4[C@@H]1[C@@]3([C@@H]5C[C@@]6(O)[C@H](OC(=O)C7=CC=CC=C7)[C@@H]5[C@@]4(C[C@@H]6OC)OC(C)=O)[C@H](C[C@H]2O)OC

InChI

InChIKey=PHDZNMWTZQPAEW-IOZYTHHVSA-N

InChI=1S/C34H47NO10/c1-7-35-16-31(17-40-3)21(37)13-22(41-4)34-20-14-32(39)23(42-5)15-33(45-18(2)36,25(28(34)35)26(43-6)27(31)34)24(20)29(32)44-30(38)19-11-9-8-10-12-19/h8-12,20-29,37,39H,7,13-17H2,1-6H3/t20-,21-,22+,23+,24-,25+,26+,27-,28-,29-,31+,32+,33-,34+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C34H47NO10
Molecular Weight	629.7377
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	14 / 14
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:51:48 GMT 2025` Edited by `admin` on `Mon Mar 31 22:51:48 GMT 2025`
Record UNII	HNC9MLB3BL
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

INDACONITINE

Common Name

English

15-DEOXYACONITINE

Preferred Name

English

INDACONITINE [MI]

Common Name

English

ACETYLBENZOYLPSEUDOACONINE

Common Name

English

ACONITANE-3,8,13,14-TETROL, 20-ETHYL-1,6,16-TRIMETHOXY-4-(METHOXYMETHYL)-, 8-ACETATE 14-BENZOATE, (1.ALPHA.,3.ALPHA.,6.ALPHA.,14.ALPHA.,16.BETA.)-

Systematic Name

English

ACETYLBENZOYLPSEUDACONINE

Common Name

English

Code System Code Type Description

MERCK INDEX

m770