ESCHOLERIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C41H61NO13
Molecular Weight	775.9219
Optical Activity	UNSPECIFIED
Defined Stereocenters	18 / 18
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12C[C@]34O[C@]5(O)[C@H](CC[C@@]3(C)[C@]5([H])[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@]4([H])[C@]1(O)[C@@H](OC(=O)[C@H](C)CC)[C@H](O)[C@@]6([H])[C@@]2([H])CN7C[C@@H](C)CC[C@@]7([H])[C@@]6(C)O)OC(=O)C(\C)=C/C

InChI

InChIKey=NBNVSMQHFPYGPR-QGTISWCESA-N

InChI=1S/C41H61NO13/c1-10-20(4)35(46)53-27-14-15-37(8)32-30(51-22(6)43)31(52-23(7)44)33-39(37,55-41(27,32)50)16-25-24-18-42-17-19(3)12-13-26(42)38(9,48)28(24)29(45)34(40(25,33)49)54-36(47)21(5)11-2/h10,19,21,24-34,45,48-50H,11-18H2,1-9H3/b20-10-/t19-,21+,24-,25-,26-,27-,28+,29+,30-,31+,32-,33+,34-,37-,38+,39+,40-,41?/m0/s1

HIDE SMILES / InChI

Molecular Formula	C41H61NO13
Molecular Weight	775.9219
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	17 / 18
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:09:46 GMT 2023` Edited by `admin` on `Sat Dec 16 09:09:46 GMT 2023`
Record UNII	C3AAP9GKQN
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ESCHOLERIN

Common Name

English

CEVANE-3,4,6,7,14,15,16,20-OCTOL, 4,9-EPOXY-, 6,7-DIACETATE 15-((2R)-2-METHYLBUTANOATE) 3-((2Z)-2-METHYL-2-BUTENOATE), (3.BETA.,4.ALPHA.,6.ALPHA.,7.ALPHA.,15.ALPHA.,16.BETA.)-

Systematic Name

English

CEVANE-3.BETA.,4.BETA.,6.ALPHA.,7.ALPHA.,14,15.ALPHA.,16.BETA.,20-OCTOL, 4,9-EPOXY-, 6,7-DIACETATE 15-((-)-2-METHYLBUTYRATE) 3-(2-METHYLCROTONATE), (Z)-

Systematic Name

English

CEVANE-3,4,6,7,14,15,16,20-OCTOL, 4,9-EPOXY-, 6,7-DIACETATE 15-(2-METHYLBUTANOATE) 3-(2-METHYL-2-BUTENOATE), (3.BETA.(Z),4.ALPHA.,6.ALPHA.,7.ALPHA.,15.ALPHA.(R),16.BETA.)-

Systematic Name

English

Code System Code Type Description

FDA UNII

C3AAP9GKQN

Created by admin on Sat Dec 16 09:09:46 GMT 2023 , Edited by admin on Sat Dec 16 09:09:46 GMT 2023

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CAS

663-93-4

Created by admin on Sat Dec 16 09:09:46 GMT 2023 , Edited by admin on Sat Dec 16 09:09:46 GMT 2023

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