BIKHACONITINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C36H51NO11
Molecular Weight	673.7902
Optical Activity	UNSPECIFIED
Defined Stereocenters	13 / 13
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12C[C@@]3(O)[C@H](OC(=O)C4=CC(OC)=C(OC)C=C4)[C@]1([H])[C@@](C[C@@H]3OC)(OC(C)=O)[C@H]5[C@H](OC)[C@@]6([H])[C@@]27[C@H](CC[C@@]6(COC)CN(CC)[C@]57[H])OC

InChI

InChIKey=CYIFGHJXUWZGSW-SLKWNTEYSA-N

InChI=1S/C36H51NO11/c1-9-37-17-33(18-41-3)13-12-24(44-6)36-21-15-34(40)25(45-7)16-35(48-19(2)38,27(30(36)37)28(46-8)29(33)36)26(21)31(34)47-32(39)20-10-11-22(42-4)23(14-20)43-5/h10-11,14,21,24-31,40H,9,12-13,15-18H2,1-8H3/t21-,24+,25+,26-,27+,28+,29-,30+,31-,33+,34+,35-,36+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C36H51NO11
Molecular Weight	673.7902
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	11 / 13
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:37:50 GMT 2023` Edited by `admin` on `Sat Dec 16 09:37:50 GMT 2023`
Record UNII	7QNI6S7YMR
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BIKHACONITINE

Common Name

English

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

Systematic Name

English

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

Systematic Name

English

ACETYLVERATROYLBIKHACONINE

Common Name

English

BIKHACONITINE [MI]

Common Name

English

Code System Code Type Description

MERCK INDEX

m2489