Baccatin VI

CAS Registry Number®

57672-79-4
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CAS Name

Baccatin VI

Molecular Formula

C37H46O14

Molecular Mass

714.75

Cite this Page

Baccatin VI.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=57672-79-4 (retrieved 2024-04-28) (CAS RN: 57672-79-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C37H46O14/c1-18-25(46-19(2)38)16-37(44)32(50-33(43)24-13-11-10-12-14-24)30-35(9,26(47-20(3)39)15-27-36(30,17-45-27)51-23(6)42)31(49-22(5)41)29(48-21(4)40)28(18)34(37,7)8/h10-14,25-27,29-32,44H,15-17H2,1-9H3/t25-,26-,27+,29+,30-,31-,32-,35+,36-,37+/m0/s1

InChIKey

InChIKey=UJFKTEIDORFVQS-SKNQRQHZSA-N

SMILES

O(C(C)=O)[C@]12[C@@]3([C@](C)([C@@H](OC(C)=O)[C@H](OC(C)=O)C=4C(C)(C)[C@](O)([C@H]3OC(=O)C5=CC=CC=C5)C[C@H](OC(C)=O)C4C)[C@@H](OC(C)=O)C[C@]1(OC2)[H])[H]

Canonical SMILES

O=C(OC1C2C3(OC(=O)C)COC3CC(OC(=O)C)C2(C)C(OC(=O)C)C(OC(=O)C)C4=C(C)C(OC(=O)C)CC1(O)C4(C)C)C=5C=CC=CC5

Other Names for this Substance

  • 7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete-4,5,6,9,11,12,12b-heptol, 2a,3,4,4a,5,6,9,10,12,12a-decahydro-4a,8,13,13-tetramethyl-, 4,5,6,9,12b-pentaacetate 12-benzoate, (2aR,4S,4aS,5R,6R,9S,11S,12S,12aR,12bS)-
  • 7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete-4,5,6,9,11,12,12b-heptol, 2a,3,4,4a,5,6,9,10,12,12a-decahydro-4a,8,13,13-tetramethyl-, 4,5,6,9,12b-pentaacetate 12-benzoate, [2aR-(2aα,4β,4aβ,5α,6β,9α,11α,12α,12aα,12bα)]-
  • Baccatin VI

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