ALISOL C 23-ACETATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C32H48O6
Molecular Weight	528.7199
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]1(OC1(C)C)[C@H](C[C@@H](C)C2=C3C[C@H](O)[C@@]4([H])[C@@]5(C)CCC(=O)C(C)(C)[C@]5([H])CC[C@]4(C)[C@@]3(C)CC2=O)OC(C)=O

InChI

InChIKey=KOOCQNIPRJEMDH-QSKXMHMESA-N

InChI=1S/C32H48O6/c1-17(14-22(37-18(2)33)27-29(5,6)38-27)25-19-15-20(34)26-30(7)12-11-24(36)28(3,4)23(30)10-13-31(26,8)32(19,9)16-21(25)35/h17,20,22-23,26-27,34H,10-16H2,1-9H3/t17-,20+,22+,23+,26+,27-,30+,31+,32+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C32H48O6
Molecular Weight	528.7199
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:29:19 GMT 2023` Edited by `admin` on `Sat Dec 16 08:29:19 GMT 2023`
Record UNII	TF3DV2XK24
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ALISOL C 23-ACETATE

Common Name

English

DAMMAR-13(17)-ENE-3,16-DIONE, 23-(ACETYLOXY)-24,25-EPOXY-11-HYDROXY-, (8.ALPHA.,9.BETA.,11.BETA.,14.BETA.,23S,24R)-

Systematic Name

English

(1S,3R)-1-((R)-3,3-DIMETHYLOXIRAN-2-YL)-3-((5R,8S,9S,10S,11S,14R)-11-HYDROXY-4,4,8,10,14-PENTAMETHYL-3,16-DIOXO-2,3,4,5,6,7,8,9,10,11,12,14,15,16-TETRADECAHYDRO-1H-CYCLOPENTA(A)PHENANTHREN-17-YL)BUTYL ACETATE

Systematic Name

English

(8.ALPHA.,9.BETA.,11.BETA.,14.BETA.,23S,24R)-23-(ACETYLOXY)-24,25-EPOXY-11-HYDROXYDAMMAR-13(17)-ENE-3,16-DIONE

Systematic Name

English

23-O-ACETYLALISOL C

Common Name

English

ALISOL C MONOACETATE

Common Name

English

8.ALPHA.,9.BETA.,14.BETA.-DAMMAR-13(17)-ENE-3,16-DIONE, 24,25-EPOXY-11.BETA.,23-DIHYDROXY-, 23-ACETATE, (23S,24R)-

Systematic Name

English

ALISOL C 23-MONOACETATE

Common Name

English

Code System Code Type Description

FDA UNII

TF3DV2XK24

Created by admin on Sat Dec 16 08:29:19 GMT 2023 , Edited by admin on Sat Dec 16 08:29:19 GMT 2023

PRIMARY

PUBCHEM

14036813

Created by admin on Sat Dec 16 08:29:19 GMT 2023 , Edited by admin on Sat Dec 16 08:29:19 GMT 2023

PRIMARY

CAS

26575-93-9

Created by admin on Sat Dec 16 08:29:19 GMT 2023 , Edited by admin on Sat Dec 16 08:29:19 GMT 2023

PRIMARY

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ALISMA PLANTAGO-AQUATICA SUBSP. ORIENTALE ROOT

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Comments:

Alisol C 23-acetate, alisol F, alisol B and alisol B 23-acetate were isolated from Rhizoma Alismatis.

Amount: