VERRUCINOL

Details

Stereochemistry	UNKNOWN
Molecular Formula	C27H34O9
Molecular Weight	502.5535
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12O[C@]3([H])C=C(C)CC[C@@]34COC(=O)[C@@H](OC(=O)\C=C\C=CC(=O)O[C@@H]1C[C@@]4(C)[C@]25CO5)[C@H](C)CCO

InChI

InChIKey=ASSHJTWQIRNLSN-ZBRXUKKXSA-N

InChI=1S/C27H34O9/c1-16-8-10-26-14-32-24(31)22(17(2)9-11-28)36-21(30)7-5-4-6-20(29)34-18-13-25(26,3)27(15-33-27)23(18)35-19(26)12-16/h4-7,12,17-19,22-23,28H,8-11,13-15H2,1-3H3/b6-4-,7-5+/t17?,18-,19-,22+,23-,25-,26-,27+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C27H34O9
Molecular Weight	502.5535
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 13:06:33 GMT 2023` Edited by `admin` on `Sat Dec 16 13:06:33 GMT 2023`
Record UNII	4HZ16O6N3B
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

VERRUCINOL

Common Name

English

SPIRO(OXIRANE-2,22'-(16H-2,15A,3)(1,2,3)PROPANETRIYL(15H-1,4,11,14)BENZOTETRAOXACYCLOHEPTADECIN)-5',10',13'(12'H)-TRIONE, 2',3',17',19'A-TETRAHYDRO-12'-(3-HYDROXY-1-METHYLPROPYL)-18',21'-DIMETHYL-, (2'R-(2'R*,3'R*,6'Z,8'E,12'S*(R*),15'AR*,19'AR*,21'R*,22

Systematic Name

English

SPIRO(OXIRANE-2,22'-(16H-2,15A,3)(1,2,3)PROPANETRIYL(15H-1,4,11,14)BENZOTETRAOXACYCLOHEPTADECIN)-5',10',13'(12'H)-TRIONE, 2',3',17',19'A-TETRAHYDRO-12'-((1R)-3-HYDROXY-1-METHYLPROPYL)-18',21'-DIMETHYL-, (2S,2'R,3'R,6'Z,8'E,12'S,15'AR,19'AR,21'R)-

Systematic Name

English

Code System Code Type Description

FDA UNII

4HZ16O6N3B

Created by admin on Sat Dec 16 13:06:33 GMT 2023 , Edited by admin on Sat Dec 16 13:06:33 GMT 2023

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CAS

123116-09-6

Created by admin on Sat Dec 16 13:06:33 GMT 2023 , Edited by admin on Sat Dec 16 13:06:33 GMT 2023

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PUBCHEM

134687468

Created by admin on Sat Dec 16 13:06:33 GMT 2023 , Edited by admin on Sat Dec 16 13:06:33 GMT 2023

PRIMARY