Podophyllotoxin glucoside

CAS Registry Number®

16481-54-2
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CAS Name

Podophyllotoxin glucoside

Molecular Formula

C28H32O13

Molecular Mass

576.55

Cite this Page

Podophyllotoxin glucoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=16481-54-2 (retrieved 2024-07-07) (CAS RN: 16481-54-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    149-152 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C28H32O13/c1-34-17-4-11(5-18(35-2)26(17)36-3)20-12-6-15-16(39-10-38-15)7-13(12)25(14-9-37-27(33)21(14)20)41-28-24(32)23(31)22(30)19(8-29)40-28/h4-7,14,19-25,28-32H,8-10H2,1-3H3/t14-,19+,20+,21-,22+,23-,24+,25-,28-/m0/s1

InChIKey

InChIKey=NXVJTGLCCSFGAT-QNDDJFOYSA-N

SMILES

O=C1[C@@]2([C@@H](C=3C([C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@]2(CO1)[H])=CC5=C(C3)OCO5)C6=CC(OC)=C(OC)C(OC)=C6)[H]

Canonical SMILES

O=C1OCC2C(OC3OC(CO)C(O)C(O)C3O)C4=CC=5OCOC5C=C4C(C6=CC(OC)=C(OC)C(OC)=C6)C12

Other Names for this Substance

  • Furo[3′,4′:6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 9-(β-D-glucopyranosyloxy)-5,8,8a,9-tetrahydro-5-(3,4,5-trimethoxyphenyl)-, (5R,5aR,8aR,9R)-
  • Podophyllotoxin, β-D-glucopyranoside
  • Furo[3′,4′:6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 9-(β-D-glucopyranosyloxy)-5,8,8a,9-tetrahydro-5-(3,4,5-trimethoxyphenyl)-, [5R-(5α,5aβ,8aα,9α)]-
  • Podophyllotoxin glucoside
  • (5R,5aR,8aR,9R)-9-(β-D-Glucopyranosyloxy)-5,8,8a,9-tetrahydro-5-(3,4,5-trimethoxyphenyl)furo[3′,4′:6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one

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Deleted or Replaced CAS Registry Numbers

129-14-6, 1329-57-3, 11018-96-5