CEVADINE SULFATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	2C32H49NO9.H2O4S
Molecular Weight	1281.544
Optical Activity	UNSPECIFIED
Defined Stereocenters	28 / 28
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OS(O)(=O)=O.[H][C@@]12CC[C@@]3([H])[C@]4(O)C[C@H](O)[C@@]5(O)[C@@]([H])(CN6C[C@@H](C)CC[C@@]6([H])[C@@]5(C)O)[C@]4(O)C[C@@]37O[C@]1(O)[C@H](CC[C@@]27C)OC(=O)C(\C)=C/C.[H][C@@]89CC[C@@]%10([H])[C@]%11(O)C[C@H](O)[C@@]%12(O)[C@@]([H])(CN%13C[C@@H](C)CC[C@@]%13([H])[C@@]%12(C)O)[C@]%11(O)C[C@@]%10%14O[C@]8(O)[C@H](CC[C@@]9%14C)OC(=O)C(\C)=C/C

InChI

InChIKey=LVNNUOZILAFQRM-OERGDMKHSA-N

InChI=1S/2C32H49NO9.H2O4S/c2*1-6-18(3)25(35)41-24-11-12-26(4)19-8-9-20-28(37)13-23(34)31(39)21(29(28,38)16-30(20,26)42-32(19,24)40)15-33-14-17(2)7-10-22(33)27(31,5)36;1-5(2,3)4/h2*6,17,19-24,34,36-40H,7-16H2,1-5H3;(H2,1,2,3,4)/b2*18-6-;/t2*17-,19-,20-,21-,22-,23-,24-,26-,27+,28+,29+,30+,31-,32-;/m00./s1

HIDE SMILES / InChI

Molecular Formula	H2O4S
Molecular Weight	98.078
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C32H49NO9
Molecular Weight	591.7328
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	14 / 14
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:56:54 UTC 2023` Edited by `admin` on `Sat Dec 16 08:56:54 UTC 2023`
Record UNII	3TU82R4MEV
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CEVADINE SULFATE

Common Name

English

CEVANE-3,4,12,14,16,17,20-HEPTOL, 4,9-EPOXY-, 3-(2-METHYL-2-BUTENOATE), (3.BETA.(Z),4.ALPHA.,16.BETA.)-, SULFATE (2:1) (SALT)

Systematic Name

English

VERATRINE SULFATE

Common Name

English

NSC-36572

Code

English

Code System Code Type Description

CAS

7770-31-2