COAGULIN K

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C34H48O10
Molecular Weight	616.7389
Optical Activity	( + )
Defined Stereocenters	14 / 14
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]7(O[C@H]1CC(=O)[C@@]2(C)C(C1)=CC[C@]3([H])[C@]2([H])CC[C@]4(C)[C@H]5CC[C@@]34O[C@@]5(C)[C@@]6([H])CC(C)=C(C)C(=O)O6)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O

InChI

InChIKey=BAHPTJNBOPDDGX-JGVQJFIVSA-N

InChI=1S/C34H48O10/c1-16-12-25(43-29(40)17(16)2)33(5)23-9-11-34(44-33)21-7-6-18-13-19(41-30-28(39)27(38)26(37)22(15-35)42-30)14-24(36)32(18,4)20(21)8-10-31(23,34)3/h6,19-23,25-28,30,35,37-39H,7-15H2,1-5H3/t19-,20+,21-,22-,23-,25-,26-,27+,28-,30-,31-,32+,33-,34-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C34H48O10
Molecular Weight	616.7389
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 `Sat Dec 16 10:07:12 GMT 2023` Edited by `admin` on `Sat Dec 16 10:07:12 GMT 2023`
Record UNII	45K6VGQ5MR
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

COAGULIN K

Common Name

English

(1R,2R,7R,10R,11S,14R,15R,16R)-16-((2R)-4,5-DIMETHYL-6-OXO-2,3-DIHYDROPYRAN-2-YL)-10,14,16-TRIMETHYL-7-((2R,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL)OXY-17-OXAPENTACYCLO(13.2.2.01,14.02,11.05,10)NONADEC-4-EN-9-ONE

Systematic Name

English

ERGOSTA-5,24-DIEN-26-OIC ACID, 14,20-EPOXY-3-(.BETA.-D-GLUCOPYRANOSYLOXY)-22-HYDROXY-1-OXO-, .DELTA.-LACTONE, (3.BETA.,17.ALPHA.,22R)-

Systematic Name

English

Code System Code Type Description

CAS

216164-42-0

Created by admin on Sat Dec 16 10:07:12 GMT 2023 , Edited by admin on Sat Dec 16 10:07:12 GMT 2023

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FDA UNII

45K6VGQ5MR

Created by admin on Sat Dec 16 10:07:12 GMT 2023 , Edited by admin on Sat Dec 16 10:07:12 GMT 2023

PRIMARY

PUBCHEM

10841504

Created by admin on Sat Dec 16 10:07:12 GMT 2023 , Edited by admin on Sat Dec 16 10:07:12 GMT 2023

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