7-Epicephalomannine

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C45H53NO14
Molecular Weight	831.9006
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C\C=C(/C)C(=O)N[C@H]([C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)C3=CC=CC=C3)[C@@H]4[C@@]5(CO[C@@H]5C[C@@H](O)[C@@]4(C)C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)OC(C)=O)C6=CC=CC=C6

InChI

InChIKey=DBXFAPJCZABTDR-DBVZQHIHSA-N

InChI=1S/C45H53NO14/c1-9-23(2)39(52)46-33(27-16-12-10-13-17-27)34(50)41(54)58-29-21-45(55)38(59-40(53)28-18-14-11-15-19-28)36-43(8,30(49)20-31-44(36,22-56-31)60-26(5)48)37(51)35(57-25(4)47)32(24(29)3)42(45,6)7/h9-19,29-31,33-36,38,49-50,55H,20-22H2,1-8H3,(H,46,52)/b23-9+/t29-,30+,31+,33-,34+,35+,36-,38-,43+,44-,45+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C45H53NO14
Molecular Weight	831.9006
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	11 / 11
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 14:24:33 GMT 2025` Edited by `admin` on `Wed Apr 02 14:24:33 GMT 2025`
Record UNII	XVD2MGZ4T5
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

7-epi-cephalomannine

Preferred Name

English

7-Epicephalomannine

Common Name

English

Benzenepropanoic acid, ?-hydroxy-?-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]amino]-, (2aR,4R,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano

Systematic Name

English

Benzenepropanoic acid, ?-hydroxy-?-[[(2E)-2-methyl-1-oxo-2-butenyl]amino]-, (2aR,4R,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H

Systematic Name

English

PACLITAXEL IMPURITY D [EP IMPURITY]

Common Name

English

4,10?-bis(acetyloxy)-1,7?-dihydroxy-13?-[[(2R,3S)-2-hydroxy-3-[[(2E)-2-methylbut-2-enoyl]amino]-3-phenylpropanoyl]oxy]-9-oxo-5?,20-epoxytax-11-en-2?-yl benzoate

Systematic Name

English

Code System Code Type Description

SMS_ID

300000053116