LAROTAXEL

Details

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

SHOW SMILES / InChI

Structure Search

SMILES

CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)C3=CC=CC=C3)[C@H]4[C@]5(C[C@H]5C[C@H]6OC[C@@]46OC(C)=O)C1=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C7=CC=CC=C7

InChI

InChIKey=DXOJIXGRFSHVKA-BZVZGCBYSA-N

InChI=1S/C45H53NO14/c1-23-29(57-39(52)33(49)32(26-15-11-9-12-16-26)46-40(53)60-41(4,5)6)21-45(54)37(58-38(51)27-17-13-10-14-18-27)35-43(36(50)34(56-24(2)47)31(23)42(45,7)8)20-28(43)19-30-44(35,22-55-30)59-25(3)48/h9-18,28-30,32-35,37,49,54H,19-22H2,1-8H3,(H,46,53)/t28-,29+,30-,32+,33-,34-,35+,37+,43-,44+,45-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C45H53NO14
Molecular Weight	831.9006
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 11
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:45:03 UTC 2023` Edited by `admin` on `Sat Dec 16 16:45:03 UTC 2023`
Record UNII	TWQ8K8A81Y
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

LAROTAXEL

Official Name

English

1-HYDROXY-9-OXO-5.BETA.,20-EPOXY-7.BETA.,19-CYCLOTAX-11-ENE-2.ALPHA.,4,10.BETA.,13.ALPHA.-TETRAYL 4,10-DIACETATE 2-BENZOATE 13-((2R,3S)-3-((TERT-BUTOXYCARBONYL)AMINO)-2-HYDROXY-3-PHENYLPROPANOATE)

Common Name

English

larotaxel [INN]

Common Name

English

XRP-9881

Code

English

XRP9881

Code

English

Larotaxel [WHO-DD]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C1490