GEISSOSPERMINE DIHYDRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C40H48N4O3.2H2O
Molecular Weight	668.8647
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O.O.[H][C@@]12C[C@@]3([H])[C@H](CC)C[N@@]1CC[C@@]24C5=CC=CC=C5N6[C@@]4([H])[C@@]3([H])CO[C@@]6([H])[C@H](C(=O)OC)[C@]7([H])C[C@]8([H])N(CCC9=C8NC%10=C9C=CC=C%10)C\C7=C\C

InChI

InChIKey=NMOYIJCIUQWOPR-KPZPOVKOSA-N

InChI=1S/C40H48N4O3.2H2O/c1-4-23-21-43-17-15-40-30-11-7-9-13-32(30)44-37(40)29(27(23)19-34(40)43)22-47-38(44)35(39(45)46-3)28-18-33-36-26(14-16-42(33)20-24(28)5-2)25-10-6-8-12-31(25)41-36;;/h5-13,23,27-29,33-35,37-38,41H,4,14-22H2,1-3H3;2*1H2/b24-5-;;/t23-,27+,28-,29+,33+,34+,35-,37+,38+,40-;;/m1../s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

GEISSOSPERMINE DIHYDRATE

Common Name

English

CORYNAN-17-OIC ACID, 19,20-DIDEHYDRO-16-((10.BETA.,13.BETA.,21.BETA.)-23-DEOXY-21,22-DIHYDRO-11-OXA-12,24-SECOSTRYCHNIDIN-10-YL)-, METHYL ESTER, DIHYDRATE, (16R,19E)-

Systematic Name

English

GEISSOSPERMINE DIHYDRATE [MI]

Common Name

English

Code System Code Type Description

CAS

6056-65-1

Created by admin on Sat Dec 16 10:59:37 UTC 2023 , Edited by admin on Sat Dec 16 10:59:37 UTC 2023

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PUBCHEM

90479228

Created by admin on Sat Dec 16 10:59:37 UTC 2023 , Edited by admin on Sat Dec 16 10:59:37 UTC 2023

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MERCK INDEX

m5684

Created by admin on Sat Dec 16 10:59:37 UTC 2023 , Edited by admin on Sat Dec 16 10:59:37 UTC 2023

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Merck Index

FDA UNII

22ML425781

Created by admin on Sat Dec 16 10:59:37 UTC 2023 , Edited by admin on Sat Dec 16 10:59:37 UTC 2023

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SUBSTANCE RECORD


					22ML425781

GEISSOSPERMINE DIHYDRATE