COTYLENIN A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C33H50O11
Molecular Weight	622.7435
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 14
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@H](C)[C@@H]3CC[C@](O)(COC)C3=C[C@@]4(C)CCC(C(C)C)=C24)C(O)C5OC6O[C@]15O[C@@]6(C)C7CO7

InChI

InChIKey=SMQRKTIIIYTOTN-BQPZYPMMSA-N

InChI=1S/C33H50O11/c1-16(2)18-8-10-30(4)12-20-19(9-11-32(20,36)15-38-7)17(3)24(34)26(23(18)30)41-28-25(35)27-33(22(40-28)13-37-6)43-29(42-27)31(5,44-33)21-14-39-21/h12,16-17,19,21-22,24-29,34-36H,8-11,13-15H2,1-7H3/b20-12+/t17-,19+,21?,22?,24-,25?,26-,27?,28-,29?,30-,31+,32+,33+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C33H50O11
Molecular Weight	622.7435
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	10 / 14
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:16:12 GMT 2023` Edited by `admin` on `Sat Dec 16 11:16:12 GMT 2023`
Record UNII	O6G9S48JRX
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

COTYLENIN A

Common Name

English

COTYLENIN-A

Common Name

English

NSC-319518

Code

English

.ALPHA.-D-XYLO-HEXOPYRANOSID-4-ULOSE, 1,2,4,5,6,6A,7,8,9,10A-DECAHYDRO-5,9-DIHYDROXY-9-(METHOXYMETHYL)-6,10A-DIMETHYL-3-(1-METHYLETHYL)DICYCLOPENTA(A,D)CYCLOOCTEN-4-YL 6-O-METHYL-, CYCLIC 2-HYDROXY-1-METHYL-1-OXIRANYL-1,2-ETHANEDIYL ACETAL, CYCLIC 3,42-A

Systematic Name

English

DICYCLOPENTA(A,D)CYCLOOCTENE-1,5-DIOL, 1,2,3,3A,4,5,6,8,9,9A-DECAHYDRO-1-(METHOXYMETHYL)-4-METHYL-7-(1-METHYLETHYL)-6-(((2S,3S,4AS,5R,7S,8R,8AR)-TETRAHYDRO-8-HYDROXY-5-(METHOXYMETHYL)-3-METHYL-3-((2S)-OXIRANYL)-7H-2,4A-EPOXY-5H-PYRANO(3,4-B)-1,4-DIOXIN-7

Common Name

English

Code System Code Type Description

NSC

319518