Asclepin

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H42O10
Molecular Weight	574.6592
Optical Activity	UNSPECIFIED
Defined Stereocenters	13 / 13
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@@H]1C[C@H](OC(C)=O)[C@]2(O)O[C@@H]3C[C@@]4(C=O)[C@@H](CC[C@@H]5[C@@H]4CC[C@]6(C)[C@H](CC[C@]56O)C7=CC(=O)OC7)C[C@H]3O[C@@H]2O1

InChI

InChIKey=OXKMZIABKYHLAR-SVDYBJNLSA-N

InChI=1S/C31H42O10/c1-16-10-25(39-17(2)33)31(36)27(38-16)40-23-12-19-4-5-22-21(29(19,15-32)13-24(23)41-31)6-8-28(3)20(7-9-30(22,28)35)18-11-26(34)37-14-18/h11,15-16,19-25,27,35-36H,4-10,12-14H2,1-3H3/t16-,19+,20-,21+,22-,23-,24-,25+,27+,28-,29-,30+,31+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C31H42O10
Molecular Weight	574.6592
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	13 / 13
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:31:01 GMT 2025` Edited by `admin` on `Mon Mar 31 22:31:01 GMT 2025`
Record UNII	JHW7L2SWU8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Asclepin

Common Name

English

Asclepiadin

Preferred Name

English

(1S,3R,5S,7R,9S,10S,12R,14R,15S,18R,19R,22S,23R)-14-formyl-10,22-dihydroxy-7,18-dimethyl-19-(5-oxo-2,5-dihydrofuran-3-yl)-4,6,11-trioxahexacyclo[12.11.0.0^{3,12}.0^{5,10}.0^{15,23}.0^{18,22}]pentacosan-9-yl acetate

Systematic Name

English

(2?,3?,5?)-2,3-[[(2S,3S,4S,6R)-4-(Acetyloxy)tetrahydro-3-hydroxy-6-methyl-2H-pyran-3,2-diyl]bis(oxy)]-14-hydroxy-19-oxocard-20(22)-enolide

Systematic Name

English

Card-20(22)-enolide, 2,3-[[4-(acetyloxy)tetrahydro-3-hydroxy-6-methyl-2H-pyran-3,2-diyl]bis(oxy)]-14-hydroxy-19-oxo-, [2?(2S,3S,4S,6R),3?,5?]-

Systematic Name

English

Card-20(22)-enolide, 2,3-[[(2S,3S,4S,6R)-4-(acetyloxy)tetrahydro-3-hydroxy-6-methyl-2H-pyran-3,2-diyl]bis(oxy)]-14-hydroxy-19-oxo-, (2?,3?,5?)-

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

253-110-8