Azaspiracid

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C47H71NO12
Molecular Weight	842.0661
Optical Activity	( - )
Defined Stereocenters	20 / 20
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@H]1CN[C@]2(C[C@H]3O[C@]9(CC(=C)[C@H]4O[C@@](O)([C@@H](O)[C@@H]5C[C@H]6O[C@@]7(CC[C@]8(CC=C[C@H](O8)\C=C\CCC(O)=O)O7)[C@H](C)C[C@H]6O5)[C@H](C)C[C@@H]4C)C[C@@H](C)C[C@H](O9)[C@H]3O2)[C@@H](C)C1

InChI

InChIKey=BVZWTQCTAVYACS-KMOFIGAKSA-N

InChI=1S/C47H71NO12/c1-26-18-36-41-38(24-45(58-41)30(5)17-27(2)25-48-45)56-44(22-26,55-36)23-29(4)40-28(3)19-32(7)47(52,59-40)42(51)37-21-35-34(53-37)20-31(6)46(57-35)16-15-43(60-46)14-10-12-33(54-43)11-8-9-13-39(49)50/h8,10-12,26-28,30-38,40-42,48,51-52H,4,9,13-25H2,1-3,5-7H3,(H,49,50)/b11-8+/t26-,27+,28-,30-,31+,32+,33+,34+,35+,36?,37-,38+,40-,41+,42-,43-,44-,45-,46+,47+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C47H71NO12
Molecular Weight	842.0661
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	20 / 20
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:50:32 GMT 2025` Edited by `admin` on `Mon Mar 31 22:50:32 GMT 2025`
Record UNII	L7T6T5J56J
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Azaspiracid

Common Name

English

(-)-Azaspiracid

Preferred Name

English

4-Pentenoic acid, 5-[(2S,2?R,2??R,3aR,6R,6??R,7aR)-2-[(R)-[(2R,3R,5S,6S)-6-[1-[[(2S,3?S,3aR,5S,5?R,7S,9R,9aR)-hexahydro-3?,5?,7-trimethylspiro[5,9-epoxy-2H-furo[3,2-b]oxocin-2,2?-piperidin]-5(3H)-yl]methyl]ethenyl]tetrahydro-2-hydroxy-3,5-dimethyl-2H-pyr

Systematic Name

English

AZASPIRACID [HSDB]

Common Name

English

Azaspiracid, (-)-

Common Name

English

Azaspiracid 1

Common Name

English

(4E)-5-[(2S,2?R,2??R,3aR,6R,6??R,7aR)-2-[(R)-[(2R,3R,5S,6S)-6-[1-[[(2S,3?S,3aR,5S,5?R,7S,9R,9aR)-Hexahydro-3?,5?,7-trimethylspiro[5,9-epoxy-2H-furo[3,2-b]oxocin-2,2?-piperidin]-5(3H)-yl]methyl]ethenyl]tetrahydro-2-hydroxy-3,5-dimethyl-2H-pyran-2-yl]hydro

Systematic Name

English

Code System Code Type Description

HSDB

214899-21-5