COAGULIN H

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H40O9
Molecular Weight	520.6118
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]1(CC(C)=C(C)C(=O)O1)[C@](C)(O)[C@]2(O)C[C@H](O)[C@@]3(O)[C@]4([H])C[C@@H](O)[C@@]5(O)CC=CC(=O)[C@]5(C)[C@@]4([H])CC[C@]23C

InChI

InChIKey=ALRJHGQYWPZYNC-ALBMBVGKSA-N

InChI=1S/C28H40O9/c1-14-11-21(37-22(32)15(14)2)25(5,33)27(35)13-20(31)28(36)17-12-19(30)26(34)9-6-7-18(29)24(26,4)16(17)8-10-23(27,28)3/h6-7,16-17,19-21,30-31,33-36H,8-13H2,1-5H3/t16-,17+,19+,20-,21+,23+,24-,25-,26-,27-,28-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C28H40O9
Molecular Weight	520.6118
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:44:32 GMT 2023` Edited by `admin` on `Sat Dec 16 10:44:32 GMT 2023`
Record UNII	2XL927E74R
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

COAGULIN H

Common Name

English

ERGOSTA-2,24-DIEN-26-OIC ACID, 5,6,14,15,17,20,22-HEPTAHYDROXY-1-OXO-, .DELTA.-LACTONE, (5.ALPHA.,6.BETA.,15.ALPHA.,17.ALPHA.,22R)-

Systematic Name

English

Code System Code Type Description

FDA UNII

2XL927E74R

Created by admin on Sat Dec 16 10:44:32 GMT 2023 , Edited by admin on Sat Dec 16 10:44:32 GMT 2023

PRIMARY

CAS

216163-59-6

Created by admin on Sat Dec 16 10:44:32 GMT 2023 , Edited by admin on Sat Dec 16 10:44:32 GMT 2023

PRIMARY

PUBCHEM

10553985

Created by admin on Sat Dec 16 10:44:32 GMT 2023 , Edited by admin on Sat Dec 16 10:44:32 GMT 2023

PRIMARY

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WITHANIA COAGULANS WHOLE

PARENT -> CONSTITUENT ALWAYS PRESENT

Comments:

Immunosuppressive