COAGULIN M

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H40O7
Molecular Weight	488.613
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]1(CC(C)=C(CO)C(=O)O1)[C@]2(C)O[C@@]34CC[C@@H]2[C@@]3(C)CC[C@@]5([H])[C@@]4([H])C[C@@H](O)[C@@]6(O)CCCC(=O)[C@]56C

InChI

InChIKey=YWJMSSUOWWLAFE-NTVGHRQWSA-N

InChI=1S/C28H40O7/c1-15-12-22(34-23(32)16(15)14-29)26(4)19-8-11-28(35-26)18-13-21(31)27(33)9-5-6-20(30)25(27,3)17(18)7-10-24(19,28)2/h17-19,21-22,29,31,33H,5-14H2,1-4H3/t17-,18+,19+,21+,22+,24+,25-,26+,27-,28+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C28H40O7
Molecular Weight	488.613
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:07:13 GMT 2023` Edited by `admin` on `Sat Dec 16 10:07:13 GMT 2023`
Record UNII	6WF8P8GCP3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

COAGULIN M

Common Name

English

(1R,2R,4R,5R,10R,11S,14R,15R,16R)-4,5-DIHYDROXY-16-((2R)-5-(HYDROXYMETHYL)-4-METHYL-6-OXO-2,3-DIHYDROPYRAN-2-YL)-10,14,16-TRIMETHYL-17-OXAPENTACYCLO(13.2.2.01,14.02,11.05,10)NONADECAN-9-ONE

Systematic Name

English

ERGOST-24-EN-26-OIC ACID, 14,20-EPOXY-5,6,22,27-TETRAHYDROXY-1-OXO-, .DELTA.-LACTONE, (5.ALPHA.,6.BETA.,17.ALPHA.,20R,22R)-

Systematic Name

English

(+)-COAGULIN M

Common Name

English

Code System Code Type Description

FDA UNII

6WF8P8GCP3

Created by admin on Sat Dec 16 10:07:13 GMT 2023 , Edited by admin on Sat Dec 16 10:07:13 GMT 2023

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PUBCHEM

10672645

Created by admin on Sat Dec 16 10:07:13 GMT 2023 , Edited by admin on Sat Dec 16 10:07:13 GMT 2023

PRIMARY

CAS

220381-48-6

Created by admin on Sat Dec 16 10:07:13 GMT 2023 , Edited by admin on Sat Dec 16 10:07:13 GMT 2023

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