Lup-20(29)-ene-2,3,28-triol, 3,28-dihexadecanoate, (2α,3β)-

CAS Registry Number®

169134-55-8

CAS Name

Lup-20(29)-ene-2,3,28-triol, 3,28-dihexadecanoate, (2α,3β)-

Molecular Formula

C62H110O5

Molecular Mass

935.53

Cite this Page

Lup-20(29)-ene-2,3,28-triol, 3,28-dihexadecanoate, (2α,3β)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=169134-55-8 (retrieved 2024-11-08) (CAS RN: 169134-55-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C62H110O5/c1-10-12-14-16-18-20-22-24-26-28-30-32-34-36-54(64)66-47-62-43-40-49(48(3)4)56(62)50-38-39-53-59(7)46-51(63)57(58(5,6)52(59)41-42-61(53,9)60(50,8)44-45-62)67-55(65)37-35-33-31-29-27-25-23-21-19-17-15-13-11-2/h49-53,56-57,63H,3,10-47H2,1-2,4-9H3/t49-,50+,51+,52-,53+,56+,57-,59-,60+,61+,62+/m0/s1

InChIKey

InChIKey=RHHIAWXSQKGCMB-NGVVZOSZSA-N

SMILES

C(OC(CCCCCCCCCCCCCCC)=O)[C@]12[C@@]([C@@]3([C@@](C)(CC1)[C@@]4(C)[C@](CC3)([C@]5(C)[C@@](CC4)(C(C)(C)[C@@H](OC(CCCCCCCCCCCCCCC)=O)[C@H](O)C5)[H])[H])[H])([C@H](C(C)=C)CC2)[H]

Canonical SMILES

O=C(OCC12CCC(C(=C)C)C2C3CCC4C5(C)CC(O)C(OC(=O)CCCCCCCCCCCCCCC)C(C)(C)C5CCC4(C)C3(C)CC1)CCCCCCCCCCCCCCC

Other Names for this Substance

  • Lup-20(29)-ene-2,3,28-triol, 3,28-dihexadecanoate, (2α,3β)-
  • Lup-20(29)-ene-2α,3β,28-triol 3,28-dipalmitate

CAS INSIGHTSTM
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