Dihydrocucurbitacin B

CAS Registry Number®

13201-14-4

CAS Name

Dihydrocucurbitacin B

Molecular Formula

C32H48O8

Molecular Mass

560.72

Cite this Page

Dihydrocucurbitacin B.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=13201-14-4 (retrieved 2024-11-22) (CAS RN: 13201-14-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    110-115 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C32H48O8/c1-17(33)40-27(2,3)13-12-23(36)32(9,39)25-21(35)15-29(6)22-11-10-18-19(14-20(34)26(38)28(18,4)5)31(22,8)24(37)16-30(25,29)7/h10,19-22,25,34-35,39H,11-16H2,1-9H3/t19-,20+,21-,22+,25+,29+,30-,31+,32+/m1/s1

InChIKey

InChIKey=QZJJDOYZVRUEDY-NRNCYQGDSA-N

SMILES

C[C@]12[C@@](C)([C@@]([C@@](C(CCC(OC(C)=O)(C)C)=O)(C)O)([C@H](O)C1)[H])CC(=O)[C@]3(C)[C@]2(CC=C4[C@]3(C[C@H](O)C(=O)C4(C)C)[H])[H]

Canonical SMILES

O=C(OC(C)(C)CCC(=O)C(O)(C)C1C(O)CC2(C)C3CC=C4C(CC(O)C(=O)C4(C)C)C3(C(=O)CC12C)C)C

Other Names for this Substance

  • 19-Norlanost-5-ene-3,11,22-trione, 25-(acetyloxy)-2,16,20-trihydroxy-9-methyl-, (2β,9β,10α,16α)-
  • 19-Nor-9β,10α-lanost-5-ene-3,11,22-trione, 2β,16α,20,25-tetrahydroxy-9-methyl-, 25-acetate
  • Cucurbitacin B, dihydro-
  • (2β,9β,10α,16α)-25-(Acetyloxy)-2,16,20-trihydroxy-9-methyl-19-norlanost-5-ene-3,11,22-trione
  • Dihydrocucurbitacin B

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Deleted or Replaced CAS Registry Numbers

21284-12-8

CAS INSIGHTSTM
Targeted protein degrader structure, illustration